B1B6OU
-OEChem-04022102152D
49 52 0 1 0 0 0 0 0999 V2000
11.0233 0.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0406 2.6596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 2.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0052 -1.1828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3007 1.3995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 1.7655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3121 -0.8694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3007 0.3995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7619 0.8995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.3497 0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1392 -1.6828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.1097 -0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7484 -1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3497 1.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3471 -2.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3416 -2.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 1.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 2.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2256 -1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8532 0.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4804 1.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8127 -0.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6018 -0.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1067 -1.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1793 0.6874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8695 0.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2853 -2.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1128 -1.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8023 1.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7305 -2.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3471 -3.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2127 -3.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9313 -2.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2156 2.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 3.1371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 0.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2156 0.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.5755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 15 2 0 0 0 0
3 18 2 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
4 14 1 0 0 0 0
5 8 1 0 0 0 0
5 15 1 0 0 0 0
5 37 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
6 20 1 0 0 0 0
7 23 3 0 0 0 0
8 10 1 0 0 0 0
8 12 1 6 0 0 0
8 28 1 0 0 0 0
9 10 1 0 0 0 0
9 13 1 6 0 0 0
9 15 1 0 0 0 0
9 29 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 16 1 0 0 0 0
11 23 1 1 0 0 0
11 32 1 0 0 0 0
13 18 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 17 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
16 17 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
19 21 1 0 0 0 0
19 42 1 0 0 0 0
19 43 1 0 0 0 0
20 22 1 0 0 0 0
20 44 1 0 0 0 0
20 45 1 0 0 0 0
21 22 1 0 0 0 0
21 24 2 0 0 0 0
22 25 2 0 0 0 0
24 26 1 0 0 0 0
24 46 1 0 0 0 0
25 27 1 0 0 0 0
25 47 1 0 0 0 0
26 27 2 0 0 0 0
26 48 1 0 0 0 0
27 49 1 0 0 0 0
M END
$$$$