BXJ2B7
-OEChem-04022105592D
39 41 0 0 0 0 0 0 0999 V2000
3.7320 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 -1.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 -1.0347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2125 -2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6177 1.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8195 1.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7410 0.4147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3392 1.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5926 -2.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2053 -2.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8325 -2.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 17 1 0 0 0 0
2 9 2 0 0 0 0
3 7 1 0 0 0 0
3 9 1 0 0 0 0
3 14 1 0 0 0 0
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4 21 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 10 2 0 0 0 0
6 8 1 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
7 12 2 0 0 0 0
8 9 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
10 11 1 0 0 0 0
10 26 1 0 0 0 0
11 13 2 0 0 0 0
11 15 1 0 0 0 0
12 13 1 0 0 0 0
12 27 1 0 0 0 0
14 28 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
15 16 1 0 0 0 0
15 18 2 0 0 0 0
16 19 2 0 0 0 0
16 31 1 0 0 0 0
17 20 1 0 0 0 0
17 32 1 0 0 0 0
17 33 1 0 0 0 0
18 34 1 0 0 0 0
19 21 1 0 0 0 0
19 35 1 0 0 0 0
20 36 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
21 39 1 0 0 0 0
M END
$$$$