BINJ79
-OEChem-04042103343D
45 48 0 1 0 0 0 0 0999 V2000
-6.4691 1.1695 -0.7862 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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1.6002 -4.0261 1.6602 O 0 0 0 0 0 0 0 0 0 0 0 0
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4.5905 4.8332 -1.5125 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6220 -0.8958 0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 -1.2592 -0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.7680 -0.2962 -0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0485 0.9442 1.7731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5729 -1.6240 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6209 -2.7590 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.8759 -3.5655 -0.7229 C 0 0 1 0 0 0 0 0 0 0 0 0
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-2.9746 1.7152 1.0979 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0979 -0.1258 -0.7303 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9675 1.7960 1.0535 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2894 1.8626 0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8448 0.9569 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0893 -2.7818 -1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3299 1.5897 1.2708 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5446 2.7899 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2412 -4.1862 0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2693 2.3773 0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4841 3.5775 -0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8464 3.3711 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8088 4.1779 -0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4394 0.1848 2.3968 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6247 1.5667 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4294 -1.3197 0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5250 -2.7251 -1.9714 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7126 -4.4187 -1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4427 -4.0318 -2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5568 2.4319 1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5317 -0.8324 -1.4332 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8742 2.7032 1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9450 -3.4445 -1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8479 -2.2990 -2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4117 -2.0042 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6740 0.8195 1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5096 2.9763 -0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3277 2.2043 0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1390 4.3497 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5767 -5.3457 1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0
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2 24 1 0 0 0 0
2 45 1 0 0 0 0
3 24 2 0 0 0 0
4 6 1 0 0 0 0
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25 27 2 0 0 0 0
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26 44 1 0 0 0 0
27 28 1 0 0 0 0
M END
$$$$