
  ACD/Labs12131809242D

  9 11  0  0  0  0  0  0  0  0  1 V2000
    0.0000   -1.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8188   -1.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5562   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9778   -1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9775    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7496   -1.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9775   -2.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9887   -2.1667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8622   -1.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <ID>
1

>  <INPUT>
DTXCID00104678

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID90182187

>  <PREFERRED_NAME>
Tricyclo(2.2.1.02,6)heptane

>  <DTXCID>
DTXCID00104678

>  <IUPAC_NAME>
Tricyclo[2.2.1.0~2,6~]heptane

>  <MOLECULAR_FORMULA>
C7H10

>  <MONOISOTOPIC_MASS>
94.078250322

>  <Formula>
C7H10

>  <FW>
94.1543

>  <Monoisotopic Mass>
94.078250

$$$$

  ACD/Labs12131809242D

 20 30  0  0  0  0  0  0  0  0  1 V2000
    0.7821   -1.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1236   -0.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4126   -3.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074   -1.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1236    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0243   -3.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7821   -4.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7821   -0.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4132   -1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5789   -0.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6311   -4.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2611   -4.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3368   -1.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8295   -3.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4085   -3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0243   -1.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2611   -4.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074   -3.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <ID>
2

>  <INPUT>
DTXCID00118831

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID90196340

>  <PREFERRED_NAME>
Dodecahedrane

>  <DTXCID>
DTXCID00118831

>  <IUPAC_NAME>
Undecacyclo[9.9.0.0~2,9~.0~3,7~.0~4,20~.0~5,18~.0~6,16~.0~8,15~.0~10,14~.0~12,19~.0~13,17~]icosane (non-preferred name)

>  <MOLECULAR_FORMULA>
C20H20

>  <MONOISOTOPIC_MASS>
260.156500644

>  <Formula>
C20H20

>  <FW>
260.3728

>  <Monoisotopic Mass>
260.156501

$$$$

  ACD/Labs12131809242D

 10 15  0  0  0  0  0  0  0  0  1 V2000
    0.9490    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1046   -1.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9490   -1.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313   -2.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3177   -4.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7934   -1.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -2.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5843   -3.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8980   -2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <ID>
3

>  <INPUT>
DTXCID10109977

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID00187486

>  <PREFERRED_NAME>
Hexacyclo(4.4.0.02,4.03,9.05,7.08,10)decane

>  <DTXCID>
DTXCID10109977

>  <IUPAC_NAME>
Hexacyclo[4.4.0.0~2,4~.0~3,9~.0~5,7~.0~8,10~]decane (non-preferred name)

>  <MOLECULAR_FORMULA>
C10H10

>  <MONOISOTOPIC_MASS>
130.078250322

>  <Formula>
C10H10

>  <FW>
130.1864

>  <Monoisotopic Mass>
130.078250

$$$$

  ACD/Labs12131809242D

  4  6  0  0  0  0  0  0  0  0  1 V2000
    0.0000   -1.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1849   -1.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5935    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5935   -2.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
>  <ID>
4

>  <INPUT>
DTXCID10380365

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID20429532

>  <PREFERRED_NAME>
tetrahedrane

>  <DTXCID>
DTXCID10380365

>  <IUPAC_NAME>
Tricyclo[1.1.0.0~2,4~]butane

>  <MOLECULAR_FORMULA>
C4H4

>  <MONOISOTOPIC_MASS>
52.0313001288

>  <Formula>
C4H4

>  <FW>
52.0746

>  <Monoisotopic Mass>
52.031300

$$$$

  ACD/Labs12131809242D

 12 18  0  0  0  0  0  0  0  0  1 V2000
    0.8992    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0999   -1.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0999   -3.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8992   -1.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1989   -2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6934   -1.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7933   -2.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6934   -3.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8992   -4.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8992   -3.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <ID>
5

>  <INPUT>
DTXCID10652135

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID40701387

>  <PREFERRED_NAME>
Heptacyclo[6.4.0.0~2,7~.0~3,6~.0~4,11~.0~5,10~.0~9,12~]dodecane

>  <DTXCID>
DTXCID10652135

>  <IUPAC_NAME>
Heptacyclo[6.4.0.0~2,7~.0~3,6~.0~4,11~.0~5,10~.0~9,12~]dodecane

>  <MOLECULAR_FORMULA>
C12H12

>  <MONOISOTOPIC_MASS>
156.0939003864

>  <Formula>
C12H12

>  <FW>
156.2237

>  <Monoisotopic Mass>
156.093900

$$$$

  ACD/Labs12131809242D

  9  9  0  0  0  0  0  0  0  0  2 V2000
    2.3037    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6073   -3.9899    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.9899    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3037   -1.3315    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4555   -3.3265    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1518   -3.3265    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4555   -1.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1518   -1.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037   -3.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
M  CHG  6   1  -1   2  -1   3  -1   4   1   5   1   6   1
M  END
>  <ID>
6

>  <INPUT>
DTXCID10683964

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID00733220

>  <PREFERRED_NAME>
1,3,5-Trioxo-1lambda~5~,3lambda~5~,5lambda~5~-triazine

>  <DTXCID>
DTXCID10683964

>  <IUPAC_NAME>
1,3,5-Trioxo-1lambda~5~,3lambda~5~,5lambda~5~-triazine

>  <MOLECULAR_FORMULA>
C3H3N3O3

>  <MONOISOTOPIC_MASS>
129.017440969

>  <Formula>
C3H3N3O3

>  <FW>
129.0742

>  <Monoisotopic Mass>
129.017441

$$$$

  ACD/Labs12131809242D

 13 15  0  0  0  0  0  0  0  0  1 V2000
    2.9334   -1.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8736   -0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5798    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4298    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0762   -1.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1710   -0.3652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0218   -2.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0777   -3.1665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3754   -3.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5254   -3.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8790   -2.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8853   -1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <ID>
7

>  <INPUT>
DTXCID10832076

>  <FOUND_BY>
DTXCID

>  <DTXSID>
-

>  <PREFERRED_NAME>
-

>  <DTXCID>
DTXCID10832076

>  <IUPAC_NAME>
Tricyclo[4.4.0.0~3,8~]decane

>  <MOLECULAR_FORMULA>
C10H16

>  <MONOISOTOPIC_MASS>
136.1252005152

>  <Formula>
C10H16

>  <FW>
136.2340

>  <Monoisotopic Mass>
136.125201

$$$$

  ACD/Labs12131809242D

 26 32  0  0  0  0  0  0  0  0  1 V2000
    3.9582   -2.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5145   -2.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2374   -2.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8720   -1.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1412   -1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2047   -0.3014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4183   -1.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3469    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7668   -1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6954   -0.1586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6790   -2.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9323   -2.5383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2671   -2.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6870   -3.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4099   -4.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5288   -5.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7668   -2.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5690   -2.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5611   -3.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2205   -3.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6573   -4.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670   -5.3861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437   -3.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0058   -3.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <ID>
8

>  <INPUT>
DTXCID10837480

>  <FOUND_BY>
DTXCID

>  <DTXSID>
-

>  <PREFERRED_NAME>
-

>  <DTXCID>
DTXCID10837480

>  <IUPAC_NAME>
Heptacyclo[7.7.1.1~3,15~.0~1,12~.0~2,7~.0~4,13~.0~6,11~]octadecane (non-preferred name)

>  <MOLECULAR_FORMULA>
C18H24

>  <MONOISOTOPIC_MASS>
240.1878007728

>  <Formula>
C18H24

>  <FW>
240.3832

>  <Monoisotopic Mass>
240.187801

$$$$

  ACD/Labs12131809242D

 10 10  0  0  0  0  0  0  0  0  2 V2000
    2.3408    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408   -1.3296    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.4176   -2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6817   -1.6995    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0056   -3.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -4.4523    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6760   -3.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8942   -4.4523    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2641   -2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6995    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
M  CHG  1   2  -1
M  END
>  <ID>
9

>  <INPUT>
DTXCID10942462

>  <FOUND_BY>
DTXCID

>  <DTXSID>
-

>  <PREFERRED_NAME>
-

>  <DTXCID>
DTXCID10942462

>  <IUPAC_NAME>
1,2,3,4,5-Pentafluorocyclopenta-2,4-dien-1-ide

>  <MOLECULAR_FORMULA>
C5F5

>  <MONOISOTOPIC_MASS>
154.992564395

>  <Formula>
C5F5-

>  <FW>
155.0461

>  <Monoisotopic Mass>
154.992565

$$$$

  ACD/Labs12131809242D

 13 15  0  0  0  0  0  0  0  0  2 V2000
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    4.1375   -4.0224    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
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    2.0770   -2.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3426   -4.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0603   -3.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
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  6  7  2  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  CHG  1   2  -1
M  END
>  <ID>
10

>  <INPUT>
DTXCID201020855

>  <FOUND_BY>
DTXCID

>  <DTXSID>
-

>  <PREFERRED_NAME>
-

>  <DTXCID>
DTXCID201020855

>  <IUPAC_NAME>
1H-Cyclopenta[e]azulen-1-ide

>  <MOLECULAR_FORMULA>
C13H9

>  <MONOISOTOPIC_MASS>
165.0709738697

>  <Formula>
C13H9-

>  <FW>
165.2111

>  <Monoisotopic Mass>
165.070974

$$$$

  ACD/Labs12131809242D

 16 20  0  0  0  0  0  0  0  0  1 V2000
    1.7836   -1.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8894   -2.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8894   -0.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4046   -3.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4769   -4.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975   -1.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0753   -2.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0555   -1.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098   -3.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6634    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1906   -1.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6778   -4.7817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0692   -3.5098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2104   -2.7877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9892   -2.2665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <ID>
11

>  <INPUT>
DTXCID20438588

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID20487778

>  <PREFERRED_NAME>
Pentacyclo[6.4.0.02,7.04,11.05,10]dodecane

>  <DTXCID>
DTXCID20438588

>  <IUPAC_NAME>
Pentacyclo[6.4.0.0~2,7~.0~4,11~.0~5,10~]dodecane

>  <MOLECULAR_FORMULA>
C12H16

>  <MONOISOTOPIC_MASS>
160.1252005152

>  <Formula>
C12H16

>  <FW>
160.2554

>  <Monoisotopic Mass>
160.125201

$$$$

  ACD/Labs12131809242D

 21 22  0  0  0  0  0  0  0  0  1 V2000
    1.1851   -4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851   -2.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3778   -4.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3778   -2.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851   -0.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851   -6.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3778    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6798   -6.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5630   -0.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -7.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5630   -2.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9369   -2.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8805   -6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2352   -5.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9249   -1.6305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  1 20  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <ID>
12

>  <INPUT>
DTXCID20674666

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID20723921

>  <PREFERRED_NAME>
Bicyclo[13.2.2]nonadecane

>  <DTXCID>
DTXCID20674666

>  <IUPAC_NAME>
Bicyclo[13.2.2]nonadecane

>  <MOLECULAR_FORMULA>
C19H36

>  <MONOISOTOPIC_MASS>
264.2817011592

>  <Formula>
C19H36

>  <FW>
264.4891

>  <Monoisotopic Mass>
264.281701

$$$$

  ACD/Labs12131809242D

  8  9  0  0  0  0  0  0  0  0  2 V2000
    1.9810   -0.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7216   -1.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1246   -1.9466    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.2405    0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.3437   -2.5496    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6060    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340   -0.5593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8497   -2.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  5  6  1  0  0  0  0
M  RAD  4   3   2   4   2   5   2   6   2
M  END
>  <ID>
13

>  <INPUT>
DTXCID20741185

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID30790442

>  <PREFERRED_NAME>
2,3,5,6-Tetraborabicyclo[2.1.1]hexane-2,3,5,6-tetrayl

>  <DTXCID>
DTXCID20741185

>  <IUPAC_NAME>
2,3,5,6-Tetraborabicyclo[2.1.1]hexane-2,3,5,6-tetrayl

>  <MOLECULAR_FORMULA>
C2H2B4

>  <MONOISOTOPIC_MASS>
70.05287

>  <Formula>
C2H2B4

>  <FW>
69.2813

>  <Monoisotopic Mass>
70.052874

$$$$

  ACD/Labs12131809242D

 11 12  0  0  0  0  0  0  0  0  1 V2000
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    0.0959   -1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4613   -1.8105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <ID>
14

>  <INPUT>
DTXCID30105037

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID90182546

>  <PREFERRED_NAME>
Bicyclo(3.2.2)nonane

>  <DTXCID>
DTXCID30105037

>  <IUPAC_NAME>
Bicyclo[3.2.2]nonane

>  <MOLECULAR_FORMULA>
C9H16

>  <MONOISOTOPIC_MASS>
124.1252005152

>  <Formula>
C9H16

>  <FW>
124.2233

>  <Monoisotopic Mass>
124.125201

$$$$

  ACD/Labs12131809242D

 27 32  0  0  0  0  0  0  0  0  1 V2000
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    4.6863   -2.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8109   -1.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3412   -4.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0477   -5.0973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5635   -2.5727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -1.6973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 19  1  0  0  0  0
  9 24  1  0  0  0  0
M  END
>  <ID>
15

>  <INPUT>
DTXCID30493789

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID00543003

>  <PREFERRED_NAME>
2,2'-Spirobi[tricyclo[3.3.1.1~3,7~]decane]

>  <DTXCID>
DTXCID30493789

>  <IUPAC_NAME>
2,2'-Spirobi[tricyclo[3.3.1.1~3,7~]decane]

>  <MOLECULAR_FORMULA>
C19H28

>  <MONOISOTOPIC_MASS>
256.2191009016

>  <Formula>
C19H28

>  <FW>
256.4256

>  <Monoisotopic Mass>
256.219101

$$$$

  ACD/Labs12131809242D

  4  4  0  0  0  0  0  0  0  0  1 V2000
    0.6649    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.1518   -1.8168    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.8168   -0.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
M  END
>  <ID>
16

>  <INPUT>
DTXCID3075757

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID40153266

>  <PREFERRED_NAME>
Disiladicarbide

>  <DTXCID>
DTXCID3075757

>  <IUPAC_NAME>
-

>  <MOLECULAR_FORMULA>
C2Si2

>  <MONOISOTOPIC_MASS>
79.95385307

>  <Formula>
C2Si2

>  <FW>
80.1924

>  <Monoisotopic Mass>
79.953852

$$$$

  ACD/Labs12131809242D

 12 14  0  0  0  0  0  0  0  0  1 V2000
    1.2814   -3.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310   -1.9737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4399   -1.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141   -1.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2775    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9184   -1.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4998   -2.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5971   -3.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4764   -3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -2.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9316   -1.5491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <ID>
17

>  <INPUT>
DTXCID30940041

>  <FOUND_BY>
DTXCID

>  <DTXSID>
-

>  <PREFERRED_NAME>
-

>  <DTXCID>
DTXCID30940041

>  <IUPAC_NAME>
Tricyclo[4.3.0.0~3,8~]nonane

>  <MOLECULAR_FORMULA>
C9H14

>  <MONOISOTOPIC_MASS>
122.1095504508

>  <Formula>
C9H14

>  <FW>
122.2075

>  <Monoisotopic Mass>
122.109550

$$$$

  ACD/Labs12131809242D

 37 42  0  0  0  0  0  0  0  0  2 V2000
    3.6480    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0381   -1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6480   -2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445   -2.3577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8650   -4.0937    0.0000 P   0  5  0  0  0  0  0  0  0  0  0  0
    3.8591   -4.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381   -3.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8299   -3.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2199   -4.2110    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2199   -2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1114    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8299   -1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2199    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8503   -5.8415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4749   -6.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2550   -6.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6451   -8.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4369   -8.0467    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2550   -9.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6451  -10.1581    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4749   -9.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0849  -10.1581    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0849   -8.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3048   -8.0467    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8797   -5.8415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8855   -2.3577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0819   -2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6919   -3.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9001   -3.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5100   -4.2110    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.5100   -2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7299   -2.1114    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.9001   -1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5100    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6919   -1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0819    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8708   -4.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 35  1  0  0  0  0
 28 29  1  0  0  0  0
 28 37  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 35 36  1  0  0  0  0
M  CHG  1   5  -1
M  END
>  <ID>
18

>  <INPUT>
DTXCID401020770

>  <FOUND_BY>
DTXCID

>  <DTXSID>
-

>  <PREFERRED_NAME>
-

>  <DTXCID>
DTXCID401020770

>  <IUPAC_NAME>
Tris[3,4,5,6-tetrachlorobenzene-1,2-diolato(2-)-kappa~2~O~1~,O~2~]phosphate(1-)ato

>  <MOLECULAR_FORMULA>
C18Cl12O6P

>  <MONOISOTOPIC_MASS>
762.5700307

>  <Formula>
C18Cl12O6P-

>  <FW>
768.5993

>  <Monoisotopic Mass>
762.570030

$$$$

  ACD/Labs12131809242D

 20 22  0  0  0  0  0  0  0  0  1 V2000
    5.1800   -3.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1800   -0.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309   -0.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309   -3.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4618   -4.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491   -4.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491   -0.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4618   -0.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4109   -2.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4109   -1.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4618   -1.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4618   -2.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491   -1.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491   -2.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7885   -4.4107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <ID>
19

>  <INPUT>
DTXCID40105043

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID00182552

>  <PREFERRED_NAME>
Tricyclo(8.2.2.24,7)-hexadecane

>  <DTXCID>
DTXCID40105043

>  <IUPAC_NAME>
Tricyclo[8.2.2.2~4,7~]hexadecane

>  <MOLECULAR_FORMULA>
C16H28

>  <MONOISOTOPIC_MASS>
220.2191009016

>  <Formula>
C16H28

>  <FW>
220.3935

>  <Monoisotopic Mass>
220.219101

$$$$

  ACD/Labs12131809242D

 10 15  0  0  0  0  0  0  0  0  1 V2000
    0.8945    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0986   -1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8945   -1.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6905   -1.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5951   -2.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1940   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7891   -2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2994   -3.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4934   -3.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <ID>
20

>  <INPUT>
DTXCID40119100

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID50196609

>  <PREFERRED_NAME>
Hexacyclo(4.4.0.02,5.03,9.04,8.07,10)decane

>  <DTXCID>
DTXCID40119100

>  <IUPAC_NAME>
Hexacyclo[4.4.0.0~2,5~.0~3,9~.0~4,8~.0~7,10~]decane

>  <MOLECULAR_FORMULA>
C10H10

>  <MONOISOTOPIC_MASS>
130.078250322

>  <Formula>
C10H10

>  <FW>
130.1864

>  <Monoisotopic Mass>
130.078250

$$$$

  ACD/Labs12131809242D

  5  4  0  0  0  0  0  0  0  0  2 V2000
    2.3116    0.0000    0.0000 Au  0  5  0  0  0  0  0  0  0  0  0  0
    1.1541   -0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4657   -1.9893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  3  0  0  0  0
  4  5  3  0  0  0  0
M  CHG  1   1  -1
M  END
>  <ID>
21

>  <INPUT>
DTXCID4025034

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID6045034

>  <PREFERRED_NAME>
Dicyanoaurate

>  <DTXCID>
DTXCID4025034

>  <IUPAC_NAME>
Bis(cyanido-kappaC)aurate(1-)

>  <MOLECULAR_FORMULA>
C2AuN2

>  <MONOISOTOPIC_MASS>
248.973266

>  <Formula>
C2AuN2-

>  <FW>
249.0019

>  <Monoisotopic Mass>
248.973197

$$$$

  ACD/Labs12131809242D

 13 15  0  0  0  0  0  0  0  0  1 V2000
    2.3946   -2.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298   -2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5249   -4.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1095   -0.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9497   -4.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544   -2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0800   -2.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6747   -0.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -3.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2046   -1.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0797   -1.8097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <ID>
22

>  <INPUT>
DTXCID40293994

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID20342914

>  <PREFERRED_NAME>
2,5-Ethanopentalene, octahydro-

>  <DTXCID>
DTXCID40293994

>  <IUPAC_NAME>
Octahydro-2,5-ethanopentalene

>  <MOLECULAR_FORMULA>
C10H16

>  <MONOISOTOPIC_MASS>
136.1252005152

>  <Formula>
C10H16

>  <FW>
136.2340

>  <Monoisotopic Mass>
136.125201

$$$$

  ACD/Labs12131809242D

  8  9  0  0  0  0  0  0  0  0  2 V2000
    0.7817    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0462   -0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3108    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0925   -1.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3108   -2.1526    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0462   -1.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7817   -2.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0763    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  CHG  1   8  -1
M  END
>  <ID>
23

>  <INPUT>
DTXCID501019962

>  <FOUND_BY>
DTXCID

>  <DTXSID>
-

>  <PREFERRED_NAME>
-

>  <DTXCID>
DTXCID501019962

>  <IUPAC_NAME>
Thieno[3,2-b]thiophen-2-ide

>  <MOLECULAR_FORMULA>
C6H3S2

>  <MONOISOTOPIC_MASS>
138.968166025

>  <Formula>
C6H3S2-

>  <FW>
139.2186

>  <Monoisotopic Mass>
138.968164

$$$$

  ACD/Labs12131809242D

 10 11  0  0  0  0  0  0  0  0  1 V2000
    1.9914   -2.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229   -1.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8910    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1192   -0.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4477   -2.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8593   -1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6277   -2.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300   -2.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2306   -1.7598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <ID>
24

>  <INPUT>
DTXCID50104769

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID40182278

>  <PREFERRED_NAME>
Bicyclo(2.2.2)octane

>  <DTXCID>
DTXCID50104769

>  <IUPAC_NAME>
Bicyclo[2.2.2]octane

>  <MOLECULAR_FORMULA>
C8H14

>  <MONOISOTOPIC_MASS>
110.1095504508

>  <Formula>
C8H14

>  <FW>
110.1968

>  <Monoisotopic Mass>
110.109550

$$$$

  ACD/Labs12131809242D

  8  9  0  0  0  0  0  0  0  0  1 V2000
    2.1267   -0.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9046   -1.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4693   -1.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4987    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4267   -2.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5014   -0.4649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0087   -2.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <ID>
25

>  <INPUT>
DTXCID50105211

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID10182720

>  <PREFERRED_NAME>
Bicyclo(2.1.1)hexane

>  <DTXCID>
DTXCID50105211

>  <IUPAC_NAME>
Bicyclo[2.1.1]hexane

>  <MOLECULAR_FORMULA>
C6H10

>  <MONOISOTOPIC_MASS>
82.078250322

>  <Formula>
C6H10

>  <FW>
82.1436

>  <Monoisotopic Mass>
82.078250

$$$$

  ACD/Labs12131809242D

 10 11  0  0  0  0  0  0  0  0  1 V2000
    2.6305   -1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676   -0.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3122   -2.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1906    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3756   -3.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4571   -1.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4571   -3.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8116   -2.3286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730   -0.5045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <ID>
26

>  <INPUT>
DTXCID50143517

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID50221026

>  <PREFERRED_NAME>
Bicyclo(4.1.1)octane

>  <DTXCID>
DTXCID50143517

>  <IUPAC_NAME>
Bicyclo[4.1.1]octane

>  <MOLECULAR_FORMULA>
C8H14

>  <MONOISOTOPIC_MASS>
110.1095504508

>  <Formula>
C8H14

>  <FW>
110.1968

>  <Monoisotopic Mass>
110.109550

$$$$

  ACD/Labs12131809242D

  2  1  0  0  0  0  0  0  0  0  2 V2000
    1.1520    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6647    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <ID>
27

>  <INPUT>
DTXCID50219089

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID80700334

>  <PREFERRED_NAME>
Sulfanylidenemethylium

>  <DTXCID>
DTXCID50219089

>  <IUPAC_NAME>
Sulfanylidenemethylium

>  <MOLECULAR_FORMULA>
CHS

>  <MONOISOTOPIC_MASS>
44.979347626

>  <Formula>
CHS+

>  <FW>
45.0831

>  <Monoisotopic Mass>
44.979346

$$$$

  ACD/Labs12131809242D

  5  8  0  0  0  0  0  0  0  0  1 V2000
    1.7736    0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.5880    0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.1855   -1.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3616   -1.0249    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0249    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <ID>
28

>  <INPUT>
DTXCID5030167

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID4051615

>  <PREFERRED_NAME>
Boron carbide

>  <DTXCID>
DTXCID5030167

>  <IUPAC_NAME>
2,3,4,5-Tetraboratetracyclo[2.1.0.0~1,3~.0~2,5~]pentane

>  <MOLECULAR_FORMULA>
CB4

>  <MONOISOTOPIC_MASS>
56.03722

>  <Formula>
CB4

>  <FW>
55.2547

>  <Monoisotopic Mass>
56.037224

$$$$

  ACD/Labs12131809242D

  5  8  0  0  0  0  0  0  0  0  1 V2000
    0.7079    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1251   -1.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1028   -1.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3316   -1.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <ID>
29

>  <INPUT>
DTXCID50560048

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID20609291

>  <PREFERRED_NAME>
Tetracyclo[2.1.0.0~1,3~.0~2,5~]pentane

>  <DTXCID>
DTXCID50560048

>  <IUPAC_NAME>
Tetracyclo[2.1.0.0~1,3~.0~2,5~]pentane

>  <MOLECULAR_FORMULA>
C5H4

>  <MONOISOTOPIC_MASS>
64.0313001288

>  <Formula>
C5H4

>  <FW>
64.0853

>  <Monoisotopic Mass>
64.031300

$$$$

  ACD/Labs12131809242D

 19 20  0  0  0  0  0  0  0  0  1 V2000
    3.5827   -4.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963   -2.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865   -4.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7790   -4.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865   -2.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9179   -4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7521   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7790   -2.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -2.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963   -4.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8363   -3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9121   -0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -2.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3017    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4677   -0.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0058   -1.7702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4740   -5.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  1 19  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <ID>
30

>  <INPUT>
DTXCID50723878

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID90773135

>  <PREFERRED_NAME>
Bicyclo[7.4.4]heptadecane

>  <DTXCID>
DTXCID50723878

>  <IUPAC_NAME>
Bicyclo[7.4.4]heptadecane

>  <MOLECULAR_FORMULA>
C17H32

>  <MONOISOTOPIC_MASS>
236.2504010304

>  <Formula>
C17H32

>  <FW>
236.4360

>  <Monoisotopic Mass>
236.250401

$$$$

  ACD/Labs12131809242D

  8  7  0  0  0  0  0  0  0  0  2 V2000
    3.4532   -1.9959    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4532   -0.6699    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    6.9064   -1.3329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6065    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2998    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7530   -0.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1534   -0.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
M  CHG  1   2   1
M  END
>  <ID>
31

>  <INPUT>
DTXCID50735890

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID40785147

>  <PREFERRED_NAME>
Diisocyanato(sulfanylidene)phosphanium

>  <DTXCID>
DTXCID50735890

>  <IUPAC_NAME>
Diisocyanato(sulfanylidene)phosphanium

>  <MOLECULAR_FORMULA>
C2N2O2PS

>  <MONOISOTOPIC_MASS>
146.94126184

>  <Formula>
C2N2O2PS+

>  <FW>
147.0718

>  <Monoisotopic Mass>
146.941260

$$$$

  ACD/Labs12131809242D

  5  4  0  0  0  0  0  0  0  0  2 V2000
    4.6080    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.6588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3040   -1.3271    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4560   -0.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520   -1.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
M  CHG  1   3   1
M  END
>  <ID>
32

>  <INPUT>
DTXCID50806099

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID80855358

>  <PREFERRED_NAME>
Oxo-N-(oxomethylidene)methaniminium

>  <DTXCID>
DTXCID50806099

>  <IUPAC_NAME>
Oxo-N-(oxomethylidene)methaniminium

>  <MOLECULAR_FORMULA>
C2NO2

>  <MONOISOTOPIC_MASS>
69.992354664

>  <Formula>
C2NO2+

>  <FW>
70.0264

>  <Monoisotopic Mass>
69.992355

$$$$

  ACD/Labs12131809242D

 16 19  0  0  0  0  0  0  0  0  2 V2000
    3.9886   -2.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6591   -2.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
M  CHG  1  13  -1
M  END
>  <ID>
33

>  <INPUT>
DTXCID601020164

>  <FOUND_BY>
DTXCID

>  <DTXSID>
-

>  <PREFERRED_NAME>
-

>  <DTXCID>
DTXCID601020164

>  <IUPAC_NAME>
Pyren-1-ide

>  <MOLECULAR_FORMULA>
C16H9

>  <MONOISOTOPIC_MASS>
201.0709738697

>  <Formula>
C16H9-

>  <FW>
201.2432

>  <Monoisotopic Mass>
201.070974

$$$$

  ACD/Labs12131809242D

  8 12  0  0  0  0  0  0  0  0  1 V2000
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  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <ID>
34

>  <INPUT>
DTXCID60104553

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID50182062

>  <PREFERRED_NAME>
Cubane

>  <DTXCID>
DTXCID60104553

>  <IUPAC_NAME>
Cubane

>  <MOLECULAR_FORMULA>
C8H8

>  <MONOISOTOPIC_MASS>
104.0626002576

>  <Formula>
C8H8

>  <FW>
104.1491

>  <Monoisotopic Mass>
104.062600

$$$$

  ACD/Labs12131809242D

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M  END
>  <ID>
35

>  <INPUT>
DTXCID60105040

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID70182549

>  <PREFERRED_NAME>
Tricyclo(3.3.2.02,8)decane

>  <DTXCID>
DTXCID60105040

>  <IUPAC_NAME>
Tricyclo[3.3.2.0~2,8~]decane

>  <MOLECULAR_FORMULA>
C10H16

>  <MONOISOTOPIC_MASS>
136.1252005152

>  <Formula>
C10H16

>  <FW>
136.2340

>  <Monoisotopic Mass>
136.125201

$$$$

  ACD/Labs12131809242D

  5  4  0  0  0  0  0  0  0  0  2 V2000
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    2.3040   -1.3317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520   -0.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  2  0  0  0  0
M  CHG  1   1   1
M  END
>  <ID>
36

>  <INPUT>
DTXCID60805755

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID20855014

>  <PREFERRED_NAME>
Isocyanato(oxo)sulfanium

>  <DTXCID>
DTXCID60805755

>  <IUPAC_NAME>
Isocyanato(oxo)sulfanium

>  <MOLECULAR_FORMULA>
CNO2S

>  <MONOISOTOPIC_MASS>
89.964425838

>  <Formula>
CNO2S+

>  <FW>
90.0807

>  <Monoisotopic Mass>
89.964425

$$$$

  ACD/Labs12131809242D

 13 14  0  0  0  0  0  0  0  0  1 V2000
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  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <ID>
37

>  <INPUT>
DTXCID70106124

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID30183633

>  <PREFERRED_NAME>
Bicyclo(3.3.3)undecane

>  <DTXCID>
DTXCID70106124

>  <IUPAC_NAME>
Bicyclo[3.3.3]undecane

>  <MOLECULAR_FORMULA>
C11H20

>  <MONOISOTOPIC_MASS>
152.156500644

>  <Formula>
C11H20

>  <FW>
152.2765

>  <Monoisotopic Mass>
152.156501

$$$$

  ACD/Labs12131809242D

 11 14  0  0  0  0  0  0  0  0  1 V2000
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  5 10  1  0  0  0  0
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M  END
>  <ID>
38

>  <INPUT>
DTXCID70107494

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID00185003

>  <PREFERRED_NAME>
Tetracyclo(3.3.1.02,8.04,6)nonane

>  <DTXCID>
DTXCID70107494

>  <IUPAC_NAME>
Tetracyclo[3.3.1.0~2,8~.0~4,6~]nonane

>  <MOLECULAR_FORMULA>
C9H12

>  <MONOISOTOPIC_MASS>
120.0939003864

>  <Formula>
C9H12

>  <FW>
120.1916

>  <Monoisotopic Mass>
120.093900

$$$$

  ACD/Labs12131809242D

  7  8  0  0  0  0  0  0  0  0  1 V2000
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M  END
>  <ID>
39

>  <INPUT>
DTXCID70107535

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID60185044

>  <PREFERRED_NAME>
Bicyclo(1.1.1)pentane

>  <DTXCID>
DTXCID70107535

>  <IUPAC_NAME>
Bicyclo[1.1.1]pentane

>  <MOLECULAR_FORMULA>
C5H8

>  <MONOISOTOPIC_MASS>
68.0626002576

>  <Formula>
C5H8

>  <FW>
68.1170

>  <Monoisotopic Mass>
68.062600

$$$$

  ACD/Labs12131809242D

  3  2  0  0  0  0  0  0  0  0  1 V2000
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    1.3300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
M  END
>  <ID>
40

>  <INPUT>
DTXCID7040867

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID1060138

>  <PREFERRED_NAME>
Carbon selenide (CSe2)

>  <DTXCID>
DTXCID7040867

>  <IUPAC_NAME>
Methanediselone

>  <MOLECULAR_FORMULA>
CSe2

>  <MONOISOTOPIC_MASS>
171.833044

>  <Formula>
CSe2

>  <FW>
169.9307

>  <Monoisotopic Mass>
171.833044

$$$$

  ACD/Labs12131809242D

 12 14  0  0  0  0  0  0  0  0  1 V2000
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  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <ID>
41

>  <INPUT>
DTXCID70438230

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID70487420

>  <PREFERRED_NAME>
Tricyclo[3.3.1.03,7]nonane

>  <DTXCID>
DTXCID70438230

>  <IUPAC_NAME>
Octahydro-2,5-methanopentalene

>  <MOLECULAR_FORMULA>
C9H14

>  <MONOISOTOPIC_MASS>
122.1095504508

>  <Formula>
C9H14

>  <FW>
122.2075

>  <Monoisotopic Mass>
122.109550

$$$$

  ACD/Labs12131809242D

 10 12  0  0  0  0  0  0  0  0  1 V2000
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <ID>
42

>  <INPUT>
DTXCID70978823

>  <FOUND_BY>
DTXCID

>  <DTXSID>
-

>  <PREFERRED_NAME>
-

>  <DTXCID>
DTXCID70978823

>  <IUPAC_NAME>
Tricyclo[3.2.1.0~2,7~]octane

>  <MOLECULAR_FORMULA>
C8H12

>  <MONOISOTOPIC_MASS>
108.0939003864

>  <Formula>
C8H12

>  <FW>
108.1809

>  <Monoisotopic Mass>
108.093900

$$$$

  ACD/Labs12131809242D

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M  END
>  <ID>
43

>  <INPUT>
DTXCID80295336

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID70344261

>  <PREFERRED_NAME>
Iceane

>  <DTXCID>
DTXCID80295336

>  <IUPAC_NAME>
Decahydro-2,7:3,6-dimethanonaphthalene

>  <MOLECULAR_FORMULA>
C12H18

>  <MONOISOTOPIC_MASS>
162.1408505796

>  <Formula>
C12H18

>  <FW>
162.2713

>  <Monoisotopic Mass>
162.140851

$$$$

  ACD/Labs12131809242D

 32 36  0  0  0  0  0  0  0  0  1 V2000
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 25 27  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <ID>
44

>  <INPUT>
DTXCID80929508

>  <FOUND_BY>
DTXCID

>  <DTXSID>
-

>  <PREFERRED_NAME>
-

>  <DTXCID>
DTXCID80929508

>  <IUPAC_NAME>
Pentacyclo[17.3.1.1~4,22~.1~8,12~.1~11,15~]hexacosane (non-preferred name)

>  <MOLECULAR_FORMULA>
C26H44

>  <MONOISOTOPIC_MASS>
356.3443014168

>  <Formula>
C26H44

>  <FW>
356.6276

>  <Monoisotopic Mass>
356.344301

$$$$

  ACD/Labs12131809242D

 30 34  0  0  0  0  0  0  0  0  1 V2000
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 11  1  0  0  0  0
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 17 18  1  0  0  0  0
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 21 22  1  0  0  0  0
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 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <ID>
45

>  <INPUT>
DTXCID80984410

>  <FOUND_BY>
DTXCID

>  <DTXSID>
-

>  <PREFERRED_NAME>
-

>  <DTXCID>
DTXCID80984410

>  <IUPAC_NAME>
Pentacyclo[13.3.2.2~8,12~.1~3,18~.1~6,9~]tetracosane (non-preferred name)

>  <MOLECULAR_FORMULA>
C24H40

>  <MONOISOTOPIC_MASS>
328.313001288

>  <Formula>
C24H40

>  <FW>
328.5744

>  <Monoisotopic Mass>
328.313001

$$$$

  ACD/Labs12131809242D

  3  3  0  0  0  0  0  0  0  0  2 V2000
    0.6650    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
M  CHG  1   3  -1
M  END
>  <ID>
46

>  <INPUT>
DTXCID901032596

>  <FOUND_BY>
DTXCID

>  <DTXSID>
-

>  <PREFERRED_NAME>
-

>  <DTXCID>
DTXCID901032596

>  <IUPAC_NAME>
-

>  <MOLECULAR_FORMULA>
C2H2B

>  <MONOISOTOPIC_MASS>
37.025504

>  <Formula>
C2H3B-

>  <FW>
37.8568

>  <Monoisotopic Mass>
38.033330

$$$$

  ACD/Labs12131809242D

  3  2  0  0  0  0  0  0  0  0  2 V2000
    1.3300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0  0  0  0
  1  3  1  0  0  0  0
M  CHG  1   3  -1
M  END
>  <ID>
47

>  <INPUT>
DTXCID90197559

>  <FOUND_BY>
DTXCID

>  <DTXSID>
-

>  <PREFERRED_NAME>
-

>  <DTXCID>
DTXCID90197559

>  <IUPAC_NAME>
Selenocyanate

>  <MOLECULAR_FORMULA>
CNSe

>  <MONOISOTOPIC_MASS>
105.920145

>  <Formula>
CNSe-

>  <FW>
104.9779

>  <Monoisotopic Mass>
105.920145

$$$$

  ACD/Labs12131809242D

 18 19  0  0  0  0  0  0  0  0  1 V2000
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  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <ID>
48

>  <INPUT>
DTXCID90249507

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID10298370

>  <PREFERRED_NAME>
Bicyclo[10.2.2]hexadecane

>  <DTXCID>
DTXCID90249507

>  <IUPAC_NAME>
Bicyclo[10.2.2]hexadecane

>  <MOLECULAR_FORMULA>
C16H30

>  <MONOISOTOPIC_MASS>
222.234750966

>  <Formula>
C16H30

>  <FW>
222.4094

>  <Monoisotopic Mass>
222.234751

$$$$

  ACD/Labs12131809242D

  9 10  0  0  0  0  0  0  0  0  1 V2000
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    2.3173   -2.2566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <ID>
49

>  <INPUT>
DTXCID90299608

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID60348536

>  <PREFERRED_NAME>
bicyclo[3.1.1]heptane

>  <DTXCID>
DTXCID90299608

>  <IUPAC_NAME>
Bicyclo[3.1.1]heptane

>  <MOLECULAR_FORMULA>
C7H12

>  <MONOISOTOPIC_MASS>
96.0939003864

>  <Formula>
C7H12

>  <FW>
96.1702

>  <Monoisotopic Mass>
96.093900

$$$$

  ACD/Labs12131809242D

  6  9  0  0  0  0  0  0  0  0  1 V2000
    1.1073   -2.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5550   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1073   -0.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5550    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <ID>
50

>  <INPUT>
DTXCID90437543

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID90486733

>  <PREFERRED_NAME>
Prismane

>  <DTXCID>
DTXCID90437543

>  <IUPAC_NAME>
Tetracyclo[2.2.0.0~2,6~.0~3,5~]hexane

>  <MOLECULAR_FORMULA>
C6H6

>  <MONOISOTOPIC_MASS>
78.0469501932

>  <Formula>
C6H6

>  <FW>
78.1118

>  <Monoisotopic Mass>
78.046950

$$$$

  ACD/Labs12131809242D

  2  1  0  0  0  0  0  0  0  0  1 V2000
    0.0000   -0.6647    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    1.1520    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
M  END
>  <ID>
51

>  <INPUT>
DTXCID90709419

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID60758676

>  <PREFERRED_NAME>
Methylidynearsane

>  <DTXCID>
DTXCID90709419

>  <IUPAC_NAME>
Methylidynearsane

>  <MOLECULAR_FORMULA>
CHAs

>  <MONOISOTOPIC_MASS>
87.92942

>  <Formula>
CHAs

>  <FW>
87.9402

>  <Monoisotopic Mass>
87.929422

$$$$

  ACD/Labs12131809242D

 16 20  0  0  0  0  0  0  0  0  1 V2000
    2.7553   -2.6431    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    4.0652   -3.9295    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3613    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.3145   -2.6431    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.2922   -4.3973    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.7730   -0.8935    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.7485   -0.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0349   -3.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0349   -1.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -4.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7845   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2807   -2.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822   -1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5894    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6780   -4.0886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1997   -2.1987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <ID>
52

>  <INPUT>
DTXCID90733658

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID00782915

>  <PREFERRED_NAME>
1,3,5,7,9,11-Hexasilapentacyclo[6.4.0.0~2,7~.0~4,11~.0~5,10~]dodecane

>  <DTXCID>
DTXCID90733658

>  <IUPAC_NAME>
1,3,5,7,9,11-Hexasilapentacyclo[6.4.0.0~2,7~.0~4,11~.0~5,10~]dodecane

>  <MOLECULAR_FORMULA>
C6H16Si6

>  <MONOISOTOPIC_MASS>
255.986759725

>  <Formula>
C6H16Si6

>  <FW>
256.7042

>  <Monoisotopic Mass>
255.986757

$$$$

  ACD/Labs12131809242D

 14 21  0  0  0  0  0  0  0  0  1 V2000
    0.9277    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1031   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9277   -1.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2370   -2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7472   -1.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8503   -2.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2370   -3.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5411   -5.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8503   -3.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6185   -3.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6185   -2.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3092   -5.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <ID>
53

>  <INPUT>
DTXCID90737712

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID10786969

>  <PREFERRED_NAME>
Octacyclo[6.6.0.0~2,7~.0~3,6~.0~4,12~.0~5,11~.0~9,14~.0~10,13~]tetradecane

>  <DTXCID>
DTXCID90737712

>  <IUPAC_NAME>
Octacyclo[6.6.0.0~2,7~.0~3,6~.0~4,12~.0~5,11~.0~9,14~.0~10,13~]tetradecane

>  <MOLECULAR_FORMULA>
C14H14

>  <MONOISOTOPIC_MASS>
182.1095504508

>  <Formula>
C14H14

>  <FW>
182.2610

>  <Monoisotopic Mass>
182.109550

$$$$

  ACD/Labs12131809242D

 30 34  0  0  0  0  0  0  0  0  1 V2000
    1.2240   -5.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0710   -5.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0909   -3.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1064   -2.2883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448   -1.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0954   -1.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3903   -1.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7539    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2994   -1.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3615   -3.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5233   -3.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6764   -4.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5854   -5.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7473   -5.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7229   -6.5810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9846   -7.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7428   -7.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4479   -7.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843   -8.8693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5389   -6.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4768   -5.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149   -5.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3858   -6.3238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528   -3.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949   -7.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8382   -5.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7673   -3.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6143   -3.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5433   -1.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <ID>
54

>  <INPUT>
DTXCID90859322

>  <FOUND_BY>
DTXCID

>  <DTXSID>
-

>  <PREFERRED_NAME>
-

>  <DTXCID>
DTXCID90859322

>  <IUPAC_NAME>
Pentacyclo[15.3.1.1~4,8~.1~7,11~.1~14,18~]tetracosane (non-preferred name)

>  <MOLECULAR_FORMULA>
C24H40

>  <MONOISOTOPIC_MASS>
328.313001288

>  <Formula>
C24H40

>  <FW>
328.5744

>  <Monoisotopic Mass>
328.313001

$$$$

  ACD/Labs12131809242D

 30 34  0  0  0  0  0  0  0  0  1 V2000
    3.0655   -3.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3562   -3.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9926   -2.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4907   -1.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1937   -1.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1618   -2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7264   -3.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9634   -2.8504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9953   -4.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660   -5.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6559   -5.7007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7943   -6.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7186   -7.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727   -6.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3114   -8.1925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8016   -6.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1691   -1.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6072   -4.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4268   -3.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <ID>
55

>  <INPUT>
DTXCID90929514

>  <FOUND_BY>
DTXCID

>  <DTXSID>
-

>  <PREFERRED_NAME>
-

>  <DTXCID>
DTXCID90929514

>  <IUPAC_NAME>
Pentacyclo[13.3.2.2~6,10~.1~3,18~.1~9,12~]tetracosane (non-preferred name)

>  <MOLECULAR_FORMULA>
C24H40

>  <MONOISOTOPIC_MASS>
328.313001288

>  <Formula>
C24H40

>  <FW>
328.5744

>  <Monoisotopic Mass>
328.313001

$$$$

  ACD/Labs12131809242D

 22 26  0  0  0  0  0  0  0  0  1 V2000
    3.6224   -3.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6224   -2.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9610   -3.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6573   -0.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4045   -3.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4045   -1.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9170   -3.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8443   -1.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9842   -4.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1584   -1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307   -3.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9170   -1.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6573   -3.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1176   -0.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4045   -0.7218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1671   -2.5738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6573    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7295   -4.8956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4521   -1.2733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4590   -4.6846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8090   -3.3841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 16  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
>  <ID>
56

>  <INPUT>
DTXCID9099955

>  <FOUND_BY>
DTXCID

>  <DTXSID>
DTXSID60177464

>  <PREFERRED_NAME>
Congressane

>  <DTXCID>
DTXCID9099955

>  <IUPAC_NAME>
Pentacyclo[7.3.1.1~4,12~.0~2,7~.0~6,11~]tetradecane (non-preferred name)

>  <MOLECULAR_FORMULA>
C14H20

>  <MONOISOTOPIC_MASS>
188.156500644

>  <Formula>
C14H20

>  <FW>
188.3086

>  <Monoisotopic Mass>
188.156501

$$$$
