BMC5S8
-OEChem-04012114072D
46 49 0 1 0 0 0 0 0999 V2000
3.3669 0.2509 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.5922 -4.1635 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.9125 -3.6567 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0854 -2.8432 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.3887 0.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3450 0.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5748 -0.7272 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
2.9057 -1.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4883 -1.1340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.3838 -2.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3544 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4057 -2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2204 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3544 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 1.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9989 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0864 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0864 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2204 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 1.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9804 -1.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9804 0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 2.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 3.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8864 -0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8864 0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 4.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4559 -0.5148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4486 -2.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0038 -2.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2204 -1.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8174 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2204 1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4918 1.7066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7472 1.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9732 -1.7886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9732 1.5206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1550 3.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 2.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4222 -0.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4222 0.6989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1417 4.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4063 4.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9288 4.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 7 1 0 0 0 0
1 15 1 0 0 0 0
2 16 1 0 0 0 0
3 16 1 0 0 0 0
4 16 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
8 12 2 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 30 1 0 0 0 0
10 12 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 13 2 0 0 0 0
11 14 1 0 0 0 0
12 16 1 0 0 0 0
13 17 1 0 0 0 0
13 33 1 0 0 0 0
14 19 2 0 0 0 0
14 34 1 0 0 0 0
15 20 2 0 0 0 0
15 21 1 0 0 0 0
17 18 1 0 0 0 0
17 22 2 0 0 0 0
18 19 1 0 0 0 0
18 23 2 0 0 0 0
19 35 1 0 0 0 0
20 24 1 0 0 0 0
20 36 1 0 0 0 0
21 25 2 0 0 0 0
21 37 1 0 0 0 0
22 27 1 0 0 0 0
22 38 1 0 0 0 0
23 28 1 0 0 0 0
23 39 1 0 0 0 0
24 26 2 0 0 0 0
24 40 1 0 0 0 0
25 26 1 0 0 0 0
25 41 1 0 0 0 0
26 29 1 0 0 0 0
27 28 2 0 0 0 0
27 42 1 0 0 0 0
28 43 1 0 0 0 0
29 44 1 0 0 0 0
29 45 1 0 0 0 0
29 46 1 0 0 0 0
M END
$$$$