BBCQ90
-OEChem-04022105052D
34 36 0 1 0 0 0 0 0999 V2000
10.1279 1.8100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 1.0053 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
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3.7320 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1900 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 2.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7369 3.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2881 -1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9081 -0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3179 3.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3179 0.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9379 3.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9379 0.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
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2 11 1 0 0 0 0
3 19 1 0 0 0 0
3 34 1 0 0 0 0
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6 9 2 0 0 0 0
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17 30 1 0 0 0 0
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20 22 2 0 0 0 0
20 32 1 0 0 0 0
21 22 1 0 0 0 0
21 33 1 0 0 0 0
M END
$$$$