B53QMD
-OEChem-04022109042D
67 72 0 0 0 0 0 0 0999 V2000
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2.2123 -2.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8914 -4.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4811 1.2654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9397 -3.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0112 -1.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0112 0.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8676 -4.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7394 -2.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6151 -0.2346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8830 2.7654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6151 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7490 0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7490 1.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4811 -1.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8830 1.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8780 -1.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3471 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2832 -2.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4811 0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3471 -0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2719 -2.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0170 3.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7490 3.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8499 -1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0170 4.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7490 4.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6882 -3.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2410 -1.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2356 -2.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2410 0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6576 -3.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1471 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1471 -0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0074 -2.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0074 1.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8714 -3.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7317 -4.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1384 0.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5370 -0.3172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3596 1.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9611 1.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2724 1.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6710 1.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4064 3.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8049 2.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9611 2.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3596 3.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6038 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8049 4.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4064 4.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3596 4.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9611 4.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9474 -4.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2339 -2.3892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2339 0.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4101 -3.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7482 -4.2969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3972 -2.6487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7931 -3.3405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6273 1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0050 1.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3874 1.2872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4196 -5.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2674 -5.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0437 -4.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 0 0 0 0
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2 35 1 0 0 0 0
3 32 1 0 0 0 0
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11 16 1 0 0 0 0
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39 66 1 0 0 0 0
39 67 1 0 0 0 0
M END
$$$$