D01MKM
-OEChem-10101305022D
82 85 0 1 0 0 0 0 0999 V2000
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4.5981 -3.2548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2774 2.9831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1795 3.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7026 -0.2603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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6.1808 -0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5116 -1.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9595 0.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1184 1.6960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -3.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8616 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3263 2.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8126 1.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4853 3.9613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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5.7422 4.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.9501 5.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.8660 -6.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2500 0.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0910 -0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2069 6.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9011 5.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.4148 7.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1090 6.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3659 7.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1238 -0.4825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2472 0.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.5956 -1.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6823 -0.5540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2016 -2.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0132 -2.0260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.3748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7066 1.8018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6577 2.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.3730 0.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1527 0.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3012 1.7176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5216 1.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.7382 2.5683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9461 3.5464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1673 4.8627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4136 4.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.4448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.4448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6357 1.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7582 -0.5030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -6.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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9.8396 0.4982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9621 -1.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6173 6.0861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3619 5.5027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5028 -1.0864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7692 3.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0506 2.9947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9541 7.6707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6987 7.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4948 8.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$