BI1QE8
-OEChem-04022101392D
51 55 0 0 0 0 0 0 0999 V2000
7.2098 -1.1613 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.8007 -3.1645 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -2.8598 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.8863 1.8113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4666 -0.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9529 -1.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2246 3.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5406 -1.9044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -4.4692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -3.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8497 -2.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8789 -0.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -3.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8571 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5699 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8497 -4.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2172 1.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5262 0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2390 1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8007 -4.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5773 2.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2464 3.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9374 4.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2901 3.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9593 4.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8937 4.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9342 -1.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0486 -1.2157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9634 0.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6581 -5.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1326 -0.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0474 1.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3023 -4.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.2845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1843 2.5095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3523 4.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6837 4.0502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7677 5.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3544 3.6259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3086 4.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4329 4.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 8 1 0 0 0 0
1 12 1 0 0 0 0
2 11 1 0 0 0 0
2 22 1 0 0 0 0
3 13 1 0 0 0 0
3 17 1 0 0 0 0
4 19 1 0 0 0 0
4 27 1 0 0 0 0
7 28 1 0 0 0 0
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10 11 2 0 0 0 0
10 13 1 0 0 0 0
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12 14 2 0 0 0 0
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14 20 1 0 0 0 0
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23 25 1 0 0 0 0
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30 32 1 0 0 0 0
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31 32 2 0 0 0 0
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32 48 1 0 0 0 0
33 49 1 0 0 0 0
33 50 1 0 0 0 0
33 51 1 0 0 0 0
M END
$$$$