BC3V1N
-OEChem-04012113123D
48 53 0 0 0 0 0 0 0999 V2000
1.9818 -0.6226 -0.9789 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2750 0.8527 1.0003 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4045 1.1299 0.0805 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4840 -0.8648 1.4403 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5056 0.6481 0.0680 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4423 -0.0414 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2679 0.8091 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0502 0.5421 0.1673 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1589 -0.2353 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0261 -1.1758 1.1364 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3312 -0.8277 -0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6146 0.5985 0.9405 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5531 -0.4616 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4997 1.9041 -1.0843 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3496 -0.5953 1.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2262 -1.4362 1.5199 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1066 1.3490 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8638 -1.6403 -1.9746 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4334 1.2272 1.8774 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5525 2.7064 -1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8546 2.4285 -1.1222 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0781 -1.2947 -1.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3677 0.1629 0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2364 -1.8775 -2.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8088 1.0039 1.8556 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3303 0.8719 -0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4385 0.0062 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3085 -1.3675 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3531 -2.1412 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5008 -0.1368 0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4737 -1.5219 0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8127 -1.8307 1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5104 2.1389 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4488 -2.2705 2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -2.0958 -2.7188 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0072 1.8857 2.6293 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3542 3.5487 -2.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6600 3.0713 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1470 -1.4892 -1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4441 0.0066 0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6531 -2.5150 -2.7909 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4483 1.4876 2.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8443 0.3840 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7468 1.8244 -1.3213 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4286 -1.8399 -0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2936 -3.2248 -0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3521 0.3946 0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2997 -2.1050 0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 11 1 0 0 0 0
2 6 1 0 0 0 0
2 12 1 0 0 0 0
3 17 1 0 0 0 0
3 26 1 0 0 0 0
4 15 2 0 0 0 0
5 27 1 0 0 0 0
5 30 2 0 0 0 0
6 7 1 0 0 0 0
6 10 1 0 0 0 0
7 8 2 0 0 0 0
7 14 1 0 0 0 0
8 15 1 0 0 0 0
8 17 1 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
9 13 2 0 0 0 0
10 16 2 0 0 0 0
10 32 1 0 0 0 0
11 18 2 0 0 0 0
12 19 2 0 0 0 0
13 22 1 0 0 0 0
13 23 1 0 0 0 0
14 20 2 0 0 0 0
14 33 1 0 0 0 0
15 16 1 0 0 0 0
16 34 1 0 0 0 0
17 21 2 0 0 0 0
18 24 1 0 0 0 0
18 35 1 0 0 0 0
19 25 1 0 0 0 0
19 36 1 0 0 0 0
20 21 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 24 2 0 0 0 0
22 39 1 0 0 0 0
23 25 2 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
25 42 1 0 0 0 0
26 27 1 0 0 0 0
26 43 1 0 0 0 0
26 44 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 45 1 0 0 0 0
29 31 2 0 0 0 0
29 46 1 0 0 0 0
30 31 1 0 0 0 0
30 47 1 0 0 0 0
31 48 1 0 0 0 0
M END
$$$$