BB34NM
-OEChem-04012112462D
45 47 0 0 0 0 0 0 0999 V2000
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2.0000 -0.8911 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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5.6132 -4.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7512 4.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3499 3.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8042 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1132 1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5255 2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1132 1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4223 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9322 3.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -3.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -2.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -2.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 -0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3444 3.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 0.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -5.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0114 2.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0948 1.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4777 1.7976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0119 0.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4462 2.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3629 3.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 -1.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -1.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 -3.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -3.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1060 -1.3570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2389 1.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5653 -1.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6982 0.8110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9932 -5.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -5.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2332 -5.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3867 5.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
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1 26 1 0 0 0 0
2 27 1 0 0 0 0
5 23 1 0 0 0 0
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6 23 2 0 0 0 0
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7 14 1 0 0 0 0
8 10 1 0 0 0 0
8 12 2 0 0 0 0
9 11 1 0 0 0 0
9 13 2 0 0 0 0
10 15 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 16 2 0 0 0 0
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15 32 1 0 0 0 0
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26 42 1 0 0 0 0
26 43 1 0 0 0 0
26 44 1 0 0 0 0
M END
$$$$