BL4U0V
-OEChem-04012118372D
50 53 0 0 0 0 0 0 0999 V2000
8.0855 2.0924 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.6730 4.0494 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.8578 3.2772 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.5309 -4.0494 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5309 -4.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 0.2194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 -1.3901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5309 -0.5853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2579 1.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5309 -0.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5901 1.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9007 2.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6116 1.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0309 -1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2329 3.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8792 3.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9437 2.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2544 3.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5309 -2.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0309 -1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0309 -3.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5309 -2.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0309 -3.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5309 -4.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8048 0.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6405 1.6578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8409 -0.0484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4190 1.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4255 4.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3370 2.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8403 3.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9109 -2.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3409 -0.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1509 -2.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5309 -4.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1509 -4.0494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5309 -3.4294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 24 1 0 0 0 0
3 24 1 0 0 0 0
4 30 1 0 0 0 0
5 29 1 0 0 0 0
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12 14 2 0 0 0 0
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18 20 2 0 0 0 0
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23 26 1 0 0 0 0
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25 26 2 0 0 0 0
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28 31 2 0 0 0 0
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30 32 2 0 0 0 0
31 32 1 0 0 0 0
31 46 1 0 0 0 0
33 48 1 0 0 0 0
33 49 1 0 0 0 0
33 50 1 0 0 0 0
M END
$$$$