B8E7SU
-OEChem-04022113133D
51 55 0 1 0 0 0 0 0999 V2000
1.0050 0.3317 -1.6309 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0479 1.9888 -0.0219 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0613 -1.4924 -0.9232 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3630 -2.1351 -0.4723 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8156 2.1672 0.3170 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8154 -0.5796 0.3311 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.0845 0.0079 -0.0785 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0799 0.1407 -0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9811 0.6216 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5678 -1.1941 -0.3866 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2537 1.1758 0.1631 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8398 0.6663 -1.6884 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1098 -0.8532 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7913 1.5019 0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4262 -1.7105 0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1122 0.6607 1.3156 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6440 -0.6812 1.8698 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5781 1.0789 -0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4108 0.1531 -1.5228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6900 -1.0928 -0.7093 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5595 -0.8719 0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7316 -1.5175 0.3489 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7230 -1.1123 1.3555 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1008 -0.9896 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6060 0.7346 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5538 1.6743 0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9215 1.3267 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9664 0.0303 -1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5487 -1.9552 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7182 2.0852 -0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9653 1.6762 -2.0946 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4939 0.0006 -2.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4272 -1.5045 -0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8932 -1.0004 1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5537 1.2967 1.5941 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5980 2.5683 0.3741 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4044 -2.0073 0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9745 -2.6134 1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1356 1.4007 2.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1446 0.5511 0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7191 -0.5460 2.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3868 -1.0611 2.5812 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9125 1.0439 -1.1244 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7950 0.0271 -2.5417 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0442 -1.9207 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3435 -0.5914 1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0952 -2.5348 0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8879 -1.0575 2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6105 1.0434 1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0142 -0.2655 -0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3493 2.6918 1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
1 19 1 0 0 0 0
2 18 2 0 0 0 0
3 20 1 0 0 0 0
3 22 1 0 0 0 0
4 24 2 0 0 0 0
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6 22 1 0 0 0 0
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8 11 1 0 0 0 0
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8 28 1 0 0 0 0
9 12 1 0 0 0 0
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9 18 1 0 0 0 0
10 13 1 0 0 0 0
10 15 1 0 0 0 0
10 29 1 0 0 0 0
11 14 1 0 0 0 0
11 16 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
15 17 1 0 0 0 0
15 37 1 0 0 0 0
15 38 1 0 0 0 0
16 17 1 0 0 0 0
16 39 1 0 0 0 0
16 40 1 0 0 0 0
17 41 1 0 0 0 0
17 42 1 0 0 0 0
19 20 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
20 21 1 0 0 0 0
20 45 1 0 0 0 0
21 23 2 0 0 0 0
21 46 1 0 0 0 0
22 23 1 0 0 0 0
22 47 1 0 0 0 0
23 48 1 0 0 0 0
25 26 2 0 0 0 0
25 49 1 0 0 0 0
26 27 1 0 0 0 0
26 51 1 0 0 0 0
M END
$$$$