BVFS48
-OEChem-04022101422D
42 45 0 0 0 0 0 0 0999 V2000
2.7357 2.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5070 4.5987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7477 -4.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0731 3.6977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4793 0.4697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2738 0.3282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2568 -1.1206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6721 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5731 1.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4741 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6966 2.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4496 2.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0731 3.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9196 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4591 3.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3436 1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6901 2.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9219 1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3353 -0.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0808 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0022 -2.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9835 -1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8263 -3.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8075 -1.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7290 -2.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2552 2.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0832 3.4006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8041 4.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0645 0.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3281 3.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8991 1.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4690 1.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6971 -1.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4426 -2.9509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0322 -0.6386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3672 -1.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2399 -3.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5800 2.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5439 1.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4200 1.7006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2587 -4.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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2 13 2 0 0 0 0
3 23 1 0 0 0 0
3 42 1 0 0 0 0
4 12 1 0 0 0 0
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6 19 2 0 0 0 0
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8 14 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 16 2 0 0 0 0
11 13 1 0 0 0 0
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11 28 1 0 0 0 0
12 15 1 0 0 0 0
14 18 2 0 0 0 0
14 30 1 0 0 0 0
15 17 2 0 0 0 0
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16 32 1 0 0 0 0
17 18 1 0 0 0 0
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20 21 2 0 0 0 0
20 22 1 0 0 0 0
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22 24 2 0 0 0 0
22 36 1 0 0 0 0
23 25 2 0 0 0 0
24 25 1 0 0 0 0
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25 38 1 0 0 0 0
26 39 1 0 0 0 0
26 40 1 0 0 0 0
26 41 1 0 0 0 0
M END
$$$$