L36NKQ
-OEChem-05032301022D
40 42 0 0 0 0 0 0 0999 V2000
2.3660 0.2342 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.8258 3.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 1.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 1.0432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 -0.7168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6349 4.3046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5471 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 0.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1349 2.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3551 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1349 2.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4439 3.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3496 -0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3949 4.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1164 2.4028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0331 1.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7535 -0.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3983 -0.5933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4993 2.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4674 -0.9084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2848 -0.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9662 -0.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4144 0.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5865 3.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9846 4.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2033 4.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
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2 9 1 0 0 0 0
3 10 2 0 0 0 0
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10 11 1 0 0 0 0
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12 14 1 0 0 0 0
12 15 2 0 0 0 0
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13 28 1 0 0 0 0
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22 39 1 0 0 0 0
23 40 1 0 0 0 0
M END
$$$$