BI79FX
-OEChem-04012115342D
40 43 0 1 0 0 0 0 0999 V2000
5.4718 -3.0384 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0517 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0077 -3.0517 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.3701 -1.5522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1140 1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0082 3.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6000 0.5066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 -1.0384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3701 0.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6000 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9961 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9961 -1.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6038 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9061 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9142 1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8680 -1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7398 -3.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0121 2.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7663 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8718 -2.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4677 0.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4677 -1.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7747 0.9869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9765 0.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6024 1.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0619 0.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -2.1376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5331 -1.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7296 -0.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4523 1.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7421 -3.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4501 -0.5540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2996 -0.3369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0825 0.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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8 7 1 1 0 0 0
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9 28 1 0 0 0 0
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10 30 1 0 0 0 0
11 12 2 0 0 0 0
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13 18 1 0 0 0 0
13 19 2 0 0 0 0
14 15 2 0 0 0 0
15 17 1 0 0 0 0
15 20 1 0 0 0 0
16 17 2 0 0 0 0
16 33 1 0 0 0 0
17 34 1 0 0 0 0
18 23 2 0 0 0 0
19 22 1 0 0 0 0
19 35 1 0 0 0 0
20 21 2 0 0 0 0
20 25 1 0 0 0 0
21 24 1 0 0 0 0
21 36 1 0 0 0 0
22 26 2 0 0 0 0
23 26 1 0 0 0 0
23 37 1 0 0 0 0
25 38 1 0 0 0 0
25 39 1 0 0 0 0
25 40 1 0 0 0 0
M END
$$$$