BY2E4H
-OEChem-04012114572D
59 63 0 0 0 0 0 0 0999 V2000
3.6670 2.9230 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5990 -5.6011 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.9651 -5.9671 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.9651 -4.2351 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4651 -0.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9292 0.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1703 3.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1636 2.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3127 5.9671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1971 0.8989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8029 3.4264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 5.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3311 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1971 -0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3311 2.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1971 -2.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5311 2.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3311 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4371 2.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4371 0.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1971 -3.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0631 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0631 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1971 2.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3311 -1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5311 1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0631 -1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0631 2.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0631 -3.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3311 -3.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3311 -4.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0631 -4.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1971 -5.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9292 -3.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4651 -5.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8068 4.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5990 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 5.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3127 5.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4443 3.5535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4443 0.2443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6001 -0.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1971 3.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7942 -1.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9953 1.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6001 -1.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6001 2.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7942 -3.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6001 -4.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1971 -5.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2392 -3.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4661 -2.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6192 -2.5642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2648 3.1184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2890 -0.0642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0621 -0.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9090 -1.1380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2069 4.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6790 6.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 2 0 0 0 0
1 8 2 0 0 0 0
1 11 1 0 0 0 0
1 17 1 0 0 0 0
2 35 1 0 0 0 0
3 35 1 0 0 0 0
4 35 1 0 0 0 0
5 18 1 0 0 0 0
5 37 1 0 0 0 0
6 22 2 0 0 0 0
9 12 1 0 0 0 0
9 39 1 0 0 0 0
10 13 1 0 0 0 0
10 14 1 0 0 0 0
10 22 1 0 0 0 0
11 36 1 0 0 0 0
11 54 1 0 0 0 0
12 36 2 0 0 0 0
13 15 2 0 0 0 0
13 20 1 0 0 0 0
14 18 2 0 0 0 0
14 23 1 0 0 0 0
15 19 1 0 0 0 0
15 24 1 0 0 0 0
16 21 1 0 0 0 0
16 25 2 0 0 0 0
16 27 1 0 0 0 0
17 19 2 0 0 0 0
17 26 1 0 0 0 0
18 25 1 0 0 0 0
19 40 1 0 0 0 0
20 26 2 0 0 0 0
20 41 1 0 0 0 0
21 29 2 0 0 0 0
21 30 1 0 0 0 0
22 28 1 0 0 0 0
23 27 2 0 0 0 0
23 42 1 0 0 0 0
24 28 2 0 0 0 0
24 43 1 0 0 0 0
25 44 1 0 0 0 0
26 45 1 0 0 0 0
27 46 1 0 0 0 0
28 47 1 0 0 0 0
29 32 1 0 0 0 0
29 34 1 0 0 0 0
30 31 2 0 0 0 0
30 48 1 0 0 0 0
31 33 1 0 0 0 0
31 35 1 0 0 0 0
32 33 2 0 0 0 0
32 49 1 0 0 0 0
33 50 1 0 0 0 0
34 51 1 0 0 0 0
34 52 1 0 0 0 0
34 53 1 0 0 0 0
36 38 1 0 0 0 0
37 55 1 0 0 0 0
37 56 1 0 0 0 0
37 57 1 0 0 0 0
38 39 2 0 0 0 0
38 58 1 0 0 0 0
39 59 1 0 0 0 0
M END
$$$$