BCU3B5
-OEChem-04022110412D
54 54 0 1 0 0 0 0 0999 V2000
4.7770 -1.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -1.2046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3122 -0.2567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 -0.6168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3090 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6517 0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7006 0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3948 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9575 -0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3459 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 -0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0064 0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0890 1.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2633 -0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0401 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7832 1.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7343 1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4774 1.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7150 -1.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9155 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2442 0.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3738 0.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7026 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4336 -0.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.1538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -1.8246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3606 -0.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1403 -0.2272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9917 1.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2121 0.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6859 1.3711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9063 1.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6664 -0.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4461 -0.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0548 -0.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8345 0.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2975 0.6508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5179 0.4851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3801 1.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6005 1.5655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9722 -1.1132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7519 -0.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7490 0.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5287 0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1833 0.3498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0743 2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2947 1.9256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4432 0.6874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2229 0.8531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8923 1.4432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9382 2.3188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0626 2.3647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 4 1 0 0 0 0
2 7 1 0 0 0 0
2 28 1 0 0 0 0
3 13 1 0 0 0 0
3 16 1 0 0 0 0
3 47 1 0 0 0 0
4 5 1 0 0 0 0
4 13 1 1 0 0 0
4 21 1 0 0 0 0
5 6 1 0 0 0 0
5 22 1 0 0 0 0
5 23 1 0 0 0 0
6 7 1 0 0 0 0
6 24 1 0 0 0 0
6 25 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 11 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 12 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 14 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 15 1 0 0 0 0
12 37 1 0 0 0 0
12 38 1 0 0 0 0
14 16 1 0 0 0 0
14 39 1 0 0 0 0
14 40 1 0 0 0 0
15 17 1 0 0 0 0
15 41 1 0 0 0 0
15 42 1 0 0 0 0
16 43 1 0 0 0 0
16 44 1 0 0 0 0
17 18 1 0 0 0 0
17 45 1 0 0 0 0
17 46 1 0 0 0 0
18 19 1 0 0 0 0
18 48 1 0 0 0 0
18 49 1 0 0 0 0
19 20 1 0 0 0 0
19 50 1 0 0 0 0
19 51 1 0 0 0 0
20 52 1 0 0 0 0
20 53 1 0 0 0 0
20 54 1 0 0 0 0
M END
$$$$