B42DXU
-OEChem-04012113113D
50 52 0 0 0 0 0 0 0999 V2000
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3.1624 -0.0241 0.1732 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4850 0.0050 2.3672 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1301 -2.4086 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2086 -1.2733 0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8834 -0.0732 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4614 -1.6280 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2617 1.1516 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9889 2.4294 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1279 -1.2774 0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7732 -0.0496 0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.1029 -3.5297 0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0833 1.1568 0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9505 -0.0558 -1.2675 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5801 0.0017 0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3251 0.2604 -1.8482 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2741 -0.3214 -0.8127 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1707 -0.0208 1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0588 3.6624 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2051 2.5748 0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5806 2.6192 -1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.6610 -2.2125 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.6547 2.0669 0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2175 0.6828 -1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6238 -1.0552 -1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8591 -0.7482 1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8662 0.9982 0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4656 1.3460 -1.9147 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4678 -0.1661 -2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3485 -1.4078 -0.9442 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2810 0.1012 -0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6120 4.5964 -0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6827 3.7092 1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2144 3.6781 -0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8863 2.4545 1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6658 3.5655 0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9901 1.8378 0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0509 3.6027 -1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7886 2.5327 -2.3131 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3381 1.8653 -1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4939 0.0381 2.5121 H 0 0 0 0 0 0 0 0 0 0 0 0
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22 48 1 0 0 0 0
22 49 1 0 0 0 0
M END
$$$$