BTDC57
-OEChem-04022101072D
37 39 0 0 0 0 0 0 0999 V2000
3.7601 -2.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 3.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 3.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0094 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.7601 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7601 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 2.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5202 2.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 2.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2633 2.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7281 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4223 1.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2144 2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6791 0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3733 1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1630 0.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3571 0.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1630 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3571 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1344 3.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2673 0.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1401 -3.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -3.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3801 -3.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6751 2.7843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8080 0.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1817 0.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9630 0.8907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5649 1.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
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12 14 1 0 0 0 0
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13 15 2 0 0 0 0
13 25 1 0 0 0 0
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15 27 1 0 0 0 0
17 21 1 0 0 0 0
17 28 1 0 0 0 0
18 22 2 0 0 0 0
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19 23 1 0 0 0 0
20 30 1 0 0 0 0
20 31 1 0 0 0 0
20 32 1 0 0 0 0
21 33 1 0 0 0 0
22 34 1 0 0 0 0
23 35 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
M END
$$$$