BC78BY
-OEChem-04012113552D
50 52 0 1 0 0 0 0 0999 V2000
5.5000 -0.5603 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 0.3057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6340 -1.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -1.4263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7764 1.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0943 3.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4706 0.9342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1922 3.2506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3660 -0.0603 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.2796 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9487 0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4487 1.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7274 1.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9353 2.5815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8864 2.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6340 -2.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7680 -2.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 -2.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7680 -3.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 -3.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6340 -4.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8460 0.2774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9696 -1.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7812 -0.8314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3636 -0.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4503 0.6406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0151 1.3943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2571 1.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0642 3.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9727 2.2766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5060 2.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3211 3.8571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6025 3.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 -1.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2310 -2.2503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 1.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0369 -2.2503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6839 4.0603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 -1.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2310 -3.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 1.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0369 -3.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 0.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6340 -4.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 2 0 0 0 0
1 9 1 0 0 0 0
2 16 1 0 0 0 0
3 17 1 0 0 0 0
5 13 2 0 0 0 0
6 15 1 0 0 0 0
6 44 1 0 0 0 0
7 9 1 0 0 0 0
7 12 1 0 0 0 0
7 13 1 0 0 0 0
14 8 1 1 0 0 0
8 38 1 0 0 0 0
8 39 1 0 0 0 0
9 10 1 0 0 0 0
9 28 1 0 0 0 0
10 11 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 12 1 0 0 0 0
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12 33 1 0 0 0 0
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14 15 1 0 0 0 0
14 35 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
16 18 2 0 0 0 0
16 20 1 0 0 0 0
17 19 2 0 0 0 0
17 21 1 0 0 0 0
18 22 1 0 0 0 0
18 40 1 0 0 0 0
19 23 1 0 0 0 0
19 41 1 0 0 0 0
20 24 2 0 0 0 0
20 42 1 0 0 0 0
21 25 2 0 0 0 0
21 43 1 0 0 0 0
22 26 2 0 0 0 0
22 45 1 0 0 0 0
23 27 2 0 0 0 0
23 46 1 0 0 0 0
24 26 1 0 0 0 0
24 47 1 0 0 0 0
25 27 1 0 0 0 0
25 48 1 0 0 0 0
26 49 1 0 0 0 0
27 50 1 0 0 0 0
M END
$$$$