BU96VH
-OEChem-04022102303D
29 30 0 0 0 0 0 0 0999 V2000
-2.6760 -3.1059 -1.3677 I 0 0 0 0 0 0 0 0 0 0 0 0
1.0628 1.5985 -2.4022 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4413 -1.6176 1.0230 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0600 2.6856 0.5635 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9344 0.4411 -0.1281 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1873 0.0249 -0.7429 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7908 0.1382 1.2891 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4811 -1.4282 -0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1429 -1.3200 1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0048 1.1556 -0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1667 1.6048 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3808 0.7618 0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4419 -0.4737 -0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4629 1.2061 0.8813 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5847 -1.2651 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6058 0.4149 0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6667 -0.8208 0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9658 0.6703 -0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2150 0.1445 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8033 0.3446 1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5049 0.7869 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7612 -2.1061 -0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4816 -1.7043 -0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1636 -1.5174 2.6247 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4072 -1.9959 1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6061 -0.8413 -1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4363 2.1652 1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4482 0.7608 1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5668 -1.4215 0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
2 10 2 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
4 11 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 10 1 0 0 0 0
6 8 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
7 9 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
13 15 1 0 0 0 0
13 26 1 0 0 0 0
14 16 2 0 0 0 0
14 27 1 0 0 0 0
15 17 2 0 0 0 0
16 17 1 0 0 0 0
16 28 1 0 0 0 0
17 29 1 0 0 0 0
M END
$$$$