BNF6V9
-OEChem-04012114252D
48 52 0 1 0 0 0 0 0999 V2000
11.8551 1.4244 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -1.0450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.2898 3.6382 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.5488 2.9940 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.6456 2.3793 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -3.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -2.1382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 -1.1382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5911 -2.4430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1747 -1.6382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3154 0.9271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -2.6382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9128 -1.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 -2.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -3.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5911 -0.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9017 0.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8533 0.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9045 1.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5972 2.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 0.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2419 -2.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7008 -0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3022 -1.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1774 -0.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3803 -0.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1588 -3.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -4.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3988 -3.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 -0.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -3.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3543 0.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -2.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9389 0.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2478 1.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 -0.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
1 27 1 0 0 0 0
2 28 1 0 0 0 0
2 32 1 0 0 0 0
3 29 1 0 0 0 0
4 29 1 0 0 0 0
5 29 1 0 0 0 0
6 18 2 0 0 0 0
7 12 1 0 0 0 0
7 13 1 0 0 0 0
7 18 1 0 0 0 0
8 14 1 0 0 0 0
8 15 1 0 0 0 0
8 17 1 0 0 0 0
9 10 1 0 0 0 0
9 15 2 0 0 0 0
10 17 2 0 0 0 0
11 20 1 0 0 0 0
11 27 2 0 0 0 0
12 15 1 0 0 0 0
12 16 1 1 0 0 0
12 33 1 0 0 0 0
13 14 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
16 40 1 0 0 0 0
17 20 1 0 0 0 0
18 19 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
20 23 2 0 0 0 0
21 24 1 0 0 0 0
21 41 1 0 0 0 0
22 25 2 0 0 0 0
22 42 1 0 0 0 0
23 43 1 0 0 0 0
24 26 2 0 0 0 0
24 44 1 0 0 0 0
25 26 1 0 0 0 0
25 45 1 0 0 0 0
26 28 1 0 0 0 0
27 29 1 0 0 0 0
28 30 2 0 0 0 0
30 31 1 0 0 0 0
30 46 1 0 0 0 0
31 32 2 0 0 0 0
31 47 1 0 0 0 0
32 48 1 0 0 0 0
M END
$$$$