BD18MS
-OEChem-04042102483D
30 32 0 1 0 0 0 0 0999 V2000
0.2259 -2.9320 0.5187 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6385 0.2270 0.2341 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8828 -0.9865 -0.1028 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8884 1.6772 0.5403 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5603 3.0505 0.3434 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3488 0.6666 -0.9907 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1635 -0.3868 -0.2429 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9130 0.4132 -0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2188 -1.5589 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9297 1.9982 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5568 0.3414 1.0329 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2403 -1.7537 0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5544 -1.1113 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7845 -1.6230 -0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6822 -0.5288 -0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9365 0.5735 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2790 1.9335 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4299 0.5305 -2.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0629 -0.6783 -0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2022 0.5940 -1.3325 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6489 1.0310 0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3718 -2.1066 0.8781 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2969 -2.2658 -0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1551 2.6843 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4623 2.4962 -1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4155 -0.1278 1.5219 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7342 0.3924 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8452 2.3650 1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0107 -2.6545 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7404 -0.5476 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 13 1 0 0 0 0
2 16 1 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
3 12 1 0 0 0 0
4 10 1 0 0 0 0
4 11 1 0 0 0 0
4 28 1 0 0 0 0
5 17 3 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 10 1 0 0 0 0
6 18 1 0 0 0 0
7 9 1 0 0 0 0
7 11 1 0 0 0 0
7 19 1 0 0 0 0
8 20 1 0 0 0 0
8 21 1 0 0 0 0
9 22 1 0 0 0 0
9 23 1 0 0 0 0
10 24 1 0 0 0 0
10 25 1 0 0 0 0
11 26 1 0 0 0 0
11 27 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
14 29 1 0 0 0 0
15 16 2 0 0 0 0
15 30 1 0 0 0 0
16 17 1 0 0 0 0
M END
$$$$