BC2A5N
-OEChem-04022107562D
52 54 0 0 0 0 0 0 0999 V2000
3.7398 -0.5033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2038 -0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0756 0.9800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6057 -1.0442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6057 1.9558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4756 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3436 0.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6116 0.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7397 0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7436 0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9397 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2077 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7397 -0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8458 0.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6154 1.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6057 0.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9397 -0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8458 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8795 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8718 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4718 0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4718 -0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7513 2.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8680 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8834 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3378 -1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0753 0.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8723 0.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7439 1.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9469 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8530 1.6104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0780 1.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1535 2.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4040 -0.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8530 -1.6988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3414 0.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6620 -0.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2608 -1.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0087 0.7658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7537 3.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0778 -2.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4789 -1.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3476 2.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0278 -1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8747 -1.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6478 -0.5072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1427 2.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0688 2.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6921 -1.9585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 -2.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 -3.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 20 1 0 0 0 0
2 12 2 0 0 0 0
3 11 1 0 0 0 0
3 12 1 0 0 0 0
3 33 1 0 0 0 0
4 13 2 0 0 0 0
4 22 1 0 0 0 0
5 16 1 0 0 0 0
5 48 1 0 0 0 0
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6 28 1 0 0 0 0
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10 19 2 0 0 0 0
11 14 2 0 0 0 0
11 17 1 0 0 0 0
13 18 1 0 0 0 0
14 32 1 0 0 0 0
15 23 1 0 0 0 0
15 34 1 0 0 0 0
16 21 1 0 0 0 0
17 18 2 0 0 0 0
17 35 1 0 0 0 0
18 36 1 0 0 0 0
19 25 1 0 0 0 0
19 37 1 0 0 0 0
20 24 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
21 22 2 0 0 0 0
21 40 1 0 0 0 0
22 26 1 0 0 0 0
23 25 2 0 0 0 0
23 41 1 0 0 0 0
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24 42 1 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
26 46 1 0 0 0 0
26 47 1 0 0 0 0
27 50 1 0 0 0 0
27 51 1 0 0 0 0
27 52 1 0 0 0 0
M END
$$$$