BG2YO5
-OEChem-04022110082D
48 50 0 0 0 0 0 0 0999 V2000
6.4103 1.7198 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5849 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -0.9510 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.7811 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.4939 -3.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 1.7811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.4151 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
5.4641 3.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -1.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 0.0490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 0.1103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.9151 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
8.4939 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 0.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 -2.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9939 -2.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4939 -3.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9113 -1.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6016 -2.2936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4689 -1.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4689 -0.4185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5190 -0.4185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5190 -1.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0765 0.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3863 0.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4113 -2.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1016 -3.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5765 -2.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8863 -1.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 2.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 1.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4939 -4.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1139 -3.4151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4939 -2.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
1 21 1 0 0 0 0
2 28 1 0 0 0 0
3 28 1 0 0 0 0
4 28 1 0 0 0 0
5 19 1 0 0 0 0
5 29 1 0 0 0 0
6 18 2 0 0 0 0
7 12 1 0 0 0 0
8 12 2 0 0 0 0
9 13 1 0 0 0 0
9 14 1 0 0 0 0
9 17 1 0 0 0 0
10 15 1 0 0 0 0
10 16 1 0 0 0 0
10 18 1 0 0 0 0
11 20 2 0 0 0 0
11 22 1 0 0 0 0
12 23 1 0 0 0 0
13 15 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 16 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
17 19 1 0 0 0 0
17 38 1 0 0 0 0
17 39 1 0 0 0 0
18 20 1 0 0 0 0
19 40 1 0 0 0 0
19 41 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
22 26 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 27 1 0 0 0 0
25 26 2 0 0 0 0
25 28 1 0 0 0 0
26 42 1 0 0 0 0
27 43 1 0 0 0 0
27 44 1 0 0 0 0
27 45 1 0 0 0 0
29 46 1 0 0 0 0
29 47 1 0 0 0 0
29 48 1 0 0 0 0
M CHG 2 7 -1 12 1
M END
$$$$