BM72KB
-OEChem-04012114343D
34 36 0 0 0 0 0 0 0999 V2000
-4.5361 -2.2352 -1.0827 F 0 0 0 0 0 0 0 0 0 0 0 0
-5.3824 -0.5574 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.5150 -2.2261 1.0916 F 0 0 0 0 0 0 0 0 0 0 0 0
1.9019 5.2321 0.0011 F 0 0 0 0 0 0 0 0 0 0 0 0
5.0113 -2.4153 1.0981 O 0 5 0 0 0 0 0 0 0 0 0 0
5.0114 -2.4173 -1.0971 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9079 -0.5694 -0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8841 -1.4932 -0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4315 -2.2334 0.0004 N 0 3 0 0 0 0 0 0 0 0 0 0
-1.3637 0.7178 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4265 -0.9802 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5183 1.8866 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7357 0.6263 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9984 -0.7567 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0800 -1.1813 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0789 -1.1865 -1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1106 2.4516 1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1084 2.4517 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3132 -1.4197 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4117 -1.5965 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4106 -1.6018 -1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0770 -1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7069 3.5818 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7091 3.5819 -1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1170 4.1470 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4438 1.4432 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5718 -1.0217 2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5698 -1.0309 -2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4207 2.0230 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4170 2.0230 -2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8986 -1.7468 2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8967 -1.7563 -2.1681 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0248 4.0218 2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0287 4.0219 -2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
2 19 1 0 0 0 0
3 19 1 0 0 0 0
4 25 1 0 0 0 0
5 9 1 0 0 0 0
6 9 2 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
8 14 2 0 0 0 0
9 22 1 0 0 0 0
10 12 1 0 0 0 0
10 13 2 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 14 1 0 0 0 0
13 26 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
15 27 1 0 0 0 0
16 21 2 0 0 0 0
16 28 1 0 0 0 0
17 23 1 0 0 0 0
17 29 1 0 0 0 0
18 24 2 0 0 0 0
18 30 1 0 0 0 0
20 22 2 0 0 0 0
20 31 1 0 0 0 0
21 22 1 0 0 0 0
21 32 1 0 0 0 0
23 25 2 0 0 0 0
23 33 1 0 0 0 0
24 25 1 0 0 0 0
24 34 1 0 0 0 0
M CHG 2 5 -1 9 1
M END
$$$$