B4TO3X
-OEChem-04022107263D
34 36 0 1 0 0 0 0 0999 V2000
-3.1097 0.3898 -1.7405 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2649 0.7534 0.3430 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9715 -0.0494 -0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2802 -3.3707 -0.6300 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3654 -0.5001 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7908 1.2801 0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3210 0.4770 -0.6554 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6949 2.3154 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1579 1.8898 -0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0669 -1.0173 0.5339 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3730 -0.5398 0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0173 -0.3153 -0.6991 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0469 -0.3275 1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1854 -2.3327 -0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3265 0.1185 -0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9862 0.3263 0.5288 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3729 0.1118 1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3364 0.7908 -1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5184 -1.4718 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6542 -0.6107 1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0018 1.2555 1.5912 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7707 1.6576 0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1298 0.4801 -1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3557 0.1442 -0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5768 3.2865 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3887 2.4490 -1.2026 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5133 1.9231 0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7737 2.5903 -0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3652 -1.1563 1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5166 -0.4698 -1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5442 -0.5015 2.6836 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8960 0.2773 2.6809 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1402 0.1220 -1.4258 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5789 1.8129 -1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 18 1 0 0 0 0
2 16 1 0 0 0 0
2 18 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 10 1 0 0 0 0
4 14 3 0 0 0 0
5 7 1 0 0 0 0
5 19 1 0 0 0 0
5 20 1 0 0 0 0
6 8 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
7 9 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 9 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 0 0 0 0
10 29 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
12 15 1 0 0 0 0
12 30 1 0 0 0 0
13 17 2 0 0 0 0
13 31 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 32 1 0 0 0 0
18 33 1 0 0 0 0
18 34 1 0 0 0 0
M END
$$$$