BNC4I7
-OEChem-04022101082D
31 33 0 0 0 0 0 0 0999 V2000
2.0000 0.5823 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.1132 2.7694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1132 2.7694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.3733 1.5094 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8042 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4223 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 2.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 0.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 0.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 0.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 -1.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -1.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1060 0.1163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2389 2.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9932 -2.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -3.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2332 -2.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5653 -0.3843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6982 2.2843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
2 3 1 0 0 0 0
2 7 1 0 0 0 0
3 12 1 0 0 0 0
4 12 2 0 0 0 0
5 6 1 0 0 0 0
5 7 2 0 0 0 0
5 12 1 0 0 0 0
6 9 2 0 0 0 0
6 10 1 0 0 0 0
7 8 1 0 0 0 0
8 15 2 0 0 0 0
8 16 1 0 0 0 0
9 13 1 0 0 0 0
9 21 1 0 0 0 0
10 14 2 0 0 0 0
10 22 1 0 0 0 0
11 13 2 0 0 0 0
11 14 1 0 0 0 0
11 17 1 0 0 0 0
13 23 1 0 0 0 0
14 24 1 0 0 0 0
15 18 1 0 0 0 0
15 25 1 0 0 0 0
16 19 2 0 0 0 0
16 26 1 0 0 0 0
17 27 1 0 0 0 0
17 28 1 0 0 0 0
17 29 1 0 0 0 0
18 20 2 0 0 0 0
18 30 1 0 0 0 0
19 20 1 0 0 0 0
19 31 1 0 0 0 0
M END
$$$$