BD94VS
-OEChem-04012119282D
59 62 0 1 0 0 0 0 0999 V2000
4.4487 0.9382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 4.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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8.3037 1.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5766 -0.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2177 -2.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.4382 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.9930 -0.8665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 2.4328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5000 2.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 3.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.9930 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 -0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.5713 -3.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2392 -2.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5283 -3.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5069 -3.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8175 -4.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0570 2.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 3.2303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 2.8928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 0.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 0.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 2.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 1.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 2.5761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 3.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -0.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.6818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6898 -1.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2831 -2.4367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1714 4.2884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2173 5.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3417 5.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7574 -0.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1788 -3.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3426 -1.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7639 -3.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9145 -3.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5078 -4.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9209 -3.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4035 -5.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4242 -4.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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33 59 1 0 0 0 0
M END
$$$$