B7H4VB
-OEChem-04012114112D
49 52 0 1 0 0 0 0 0999 V2000
7.6648 -1.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.5676 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.0812 -0.6276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 2.5676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0812 -2.2371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.4324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3454 2.9682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.0676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4030 1.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6648 -1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3919 0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3704 0.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3919 -3.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6811 1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0382 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6596 1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0168 -0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3274 0.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0132 2.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.6876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7924 1.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1909 0.4850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6675 3.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 3.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 0.4850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 1.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 1.9600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 2.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 3.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3713 0.9425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7781 0.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8026 -3.3802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5845 -3.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9812 -2.9950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8456 -0.8045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8522 2.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4308 -0.4705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9341 1.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
2 9 1 0 0 0 0
2 11 1 0 0 0 0
2 13 1 0 0 0 0
3 14 1 0 0 0 0
3 17 1 0 0 0 0
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8 4 1 1 0 0 0
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5 21 1 0 0 0 0
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8 28 1 0 0 0 0
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10 12 1 0 0 0 0
10 31 1 0 0 0 0
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11 12 1 0 0 0 0
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22 24 2 0 0 0 0
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23 46 1 0 0 0 0
24 26 1 0 0 0 0
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25 26 2 0 0 0 0
25 48 1 0 0 0 0
26 49 1 0 0 0 0
M END
$$$$