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70 lines
2.9 KiB
Plaintext
70 lines
2.9 KiB
Plaintext
Pubchem CID 10775059
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-OEChem-10111004102D
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31 32 0 1 0 0 0 0 0999 V2000
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5.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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5.5981 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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4.5981 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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4.5981 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.8660 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.9781 0.0000 0.0000 H 2 0 0 0 0 0 0 0 0 0 0 0
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4.5981 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.9081 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.9081 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.1951 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.0010 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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4.2690 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.8660 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.4641 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.1951 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.0010 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.8660 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.4631 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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4.5981 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.4631 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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4 1 1 1 0 0 0
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1 25 1 0 0 0 0
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3 2 1 1 0 0 0
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2 19 1 0 0 0 0
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2 20 1 0 0 0 0
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3 4 1 0 0 0 0
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3 5 1 0 0 0 0
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3 17 1 0 0 0 0
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4 6 1 0 0 0 0
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4 18 1 0 0 0 0
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5 7 2 0 0 0 0
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5 8 1 0 0 0 0
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6 9 2 0 0 0 0
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6 10 1 0 0 0 0
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7 11 1 0 0 0 0
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7 21 1 0 0 0 0
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8 12 2 0 0 0 0
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8 22 1 0 0 0 0
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9 13 1 0 0 0 0
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9 23 1 0 0 0 0
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10 14 2 0 0 0 0
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10 24 1 0 0 0 0
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11 15 2 0 0 0 0
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11 26 1 0 0 0 0
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12 15 1 0 0 0 0
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12 27 1 0 0 0 0
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13 16 2 0 0 0 0
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13 28 1 0 0 0 0
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14 16 1 0 0 0 0
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14 29 1 0 0 0 0
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15 30 1 0 0 0 0
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16 31 1 0 0 0 0
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M ISO 1 17 3
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M END
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