B8W6KN
-OEChem-04012113292D
49 52 0 1 0 0 0 0 0999 V2000
3.5827 0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 0.1488 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.9128 -2.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -3.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -1.3512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7788 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 3.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -2.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7166 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7166 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4497 -1.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9909 -1.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3894 -0.7436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4362 -0.7436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8347 -1.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3894 0.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9909 0.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3113 1.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5143 1.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4497 -2.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3759 -2.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5268 -1.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9253 -0.7436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9389 3.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5402 1.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -3.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1797 -1.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1797 -2.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2478 3.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 2 0 0 0 0
2 23 1 0 0 0 0
2 27 1 0 0 0 0
3 10 1 0 0 0 0
3 12 1 0 0 0 0
3 13 1 0 0 0 0
8 4 1 1 0 0 0
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6 13 2 0 0 0 0
6 17 1 0 0 0 0
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9 11 1 0 0 0 0
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10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 12 1 0 0 0 0
11 34 1 0 0 0 0
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25 26 2 0 0 0 0
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26 48 1 0 0 0 0
27 49 1 0 0 0 0
M END
$$$$