forked from enviPath/enviPy
141 lines
4.5 KiB
Plaintext
141 lines
4.5 KiB
Plaintext
$MDL REV 1
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$MOL
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$HDR
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$END HDR
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$CTAB
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14 14 0 0 0 999 V2000
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-3.4608 -4.5124 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0
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-2.5948 -4.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.7288 -4.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.8628 -4.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0032 -4.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.8692 -4.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.7352 -4.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.6012 -4.0124 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0
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-0.8628 -3.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.6718 -2.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3628 -1.4735 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3628 -1.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.0538 -2.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.8536 -3.0465 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0
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2 3 1 0 0 0
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3 4 1 0 0 0
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4 5 1 0 0 0
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5 6 1 0 0 0
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6 7 1 0 0 0
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7 8 1 0 0 0
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4 9 1 0 0 0
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9 10 1 0 0 0
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10 11 1 0 0 0
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11 12 1 0 0 0
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12 13 1 0 0 0
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13 9 1 0 0 0
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2 14 1 0 0 0
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M RGP 4 1 2 8 1 11 3 14 1
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M LOG 1 1 0 0 1
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M LOG 1 2 3 0 >0
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M LOG 1 3 0 1 >0
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M END
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$END CTAB
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$RGP
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1
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$CTAB
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3 2 0 0 0 999 V2000
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-3.6375 -10.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.7715 -11.1466 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
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-3.6375 -9.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0
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1 3 2 0 0 0
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M APO 1 1 1
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M END
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$END CTAB
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$CTAB
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6 5 0 0 0 999 V2000
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-0.5966 -10.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2694 -10.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.9939 -9.9800 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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0.0194 -11.6983 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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1.0862 -11.1766 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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-0.5966 -9.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0
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2 3 1 0 0 0
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2 4 1 0 0 0
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2 5 1 0 0 0
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1 6 2 0 0 0
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M APO 1 1 1
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M END
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$END CTAB
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$END RGP
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$RGP
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2
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$CTAB
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4 3 0 0 0 999 V2000
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7.4705 -10.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.3365 -9.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.6045 -9.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.4705 -11.3679 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
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1 3 1 0 0 0
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1 4 1 0 0 0
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M APO 1 4 3
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M END
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$END CTAB
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$CTAB
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1 0 0 0 0 999 V2000
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10.4785 -10.5179 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
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M APO 1 1 3
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M END
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$END CTAB
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$END RGP
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$RGP
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3
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$CTAB
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6 6 0 0 0 999 V2000
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8.0535 -13.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.9195 -14.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.9195 -15.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.0535 -15.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.1875 -15.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.1875 -14.2929 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
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2 3 2 0 0 0
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3 4 1 0 0 0
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4 5 2 0 0 0
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5 6 1 0 0 0
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6 1 2 0 0 0
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M APO 1 1 1
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M END
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$END CTAB
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$CTAB
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5 5 0 0 0 999 V2000
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11.5535 -14.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.3625 -14.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.0535 -15.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.0535 -15.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.7445 -14.7050 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
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2 3 2 0 0 0
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3 4 1 0 0 0
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4 5 2 0 0 0
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5 1 1 0 0 0
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M APO 1 1 1
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M END
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$END CTAB
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$CTAB
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3 3 0 0 0 999 V2000
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14.1285 -15.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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15.1285 -15.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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14.6285 -14.4155 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
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2 3 1 0 0 0
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1 3 1 0 0 0
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M APO 1 3 1
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M END
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$END CTAB
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$END RGP
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$END MOL
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