L1BJG3
-OEChem-05032300182D
50 52 0 1 0 0 0 0 0999 V2000
12.6987 2.4630 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
13.9598 3.1029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
14.5997 1.8417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.1029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.1029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 0.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.1029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.1029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3385 1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3385 -0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.6029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9221 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6492 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9248 1.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1278 1.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4482 1.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0497 0.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1278 -1.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9248 -1.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5311 -0.9969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5421 0.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 -1.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 -1.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -0.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 24 1 0 0 0 0
3 24 1 0 0 0 0
4 26 1 0 0 0 0
5 28 1 0 0 0 0
6 30 1 0 0 0 0
7 20 2 0 0 0 0
8 12 1 0 0 0 0
8 14 1 0 0 0 0
8 16 1 0 0 0 0
9 13 1 0 0 0 0
9 15 1 0 0 0 0
9 20 1 0 0 0 0
10 20 1 0 0 0 0
10 22 1 0 0 0 0
10 46 1 0 0 0 0
18 11 1 6 0 0 0
11 47 1 0 0 0 0
11 48 1 0 0 0 0
12 13 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 15 1 0 0 0 0
14 17 2 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 21 2 0 0 0 0
16 24 1 0 0 0 0
17 21 1 0 0 0 0
17 37 1 0 0 0 0
18 19 1 0 0 0 0
18 23 1 0 0 0 0
18 38 1 0 0 0 0
19 22 1 0 0 0 0
19 39 1 0 0 0 0
19 40 1 0 0 0 0
21 41 1 0 0 0 0
22 42 1 0 0 0 0
22 43 1 0 0 0 0
23 25 1 0 0 0 0
23 44 1 0 0 0 0
23 45 1 0 0 0 0
25 26 1 0 0 0 0
25 27 2 0 0 0 0
26 29 2 0 0 0 0
27 28 1 0 0 0 0
27 49 1 0 0 0 0
28 30 2 0 0 0 0
29 30 1 0 0 0 0
29 50 1 0 0 0 0
M END
$$$$