BT61JL
-OEChem-04012117302D
57 60 0 1 0 0 0 0 0999 V2000
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4.7950 0.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0622 0.9730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8566 2.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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8.3393 -0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5271 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9229 -0.0098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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5.6610 1.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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8.0131 1.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3931 2.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7731 1.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1087 -2.8901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9229 -0.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5429 -0.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9229 0.6102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0005 0.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2087 0.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8320 -0.2819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4476 2.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8361 0.1673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7950 1.6102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 -3.2280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7757 2.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4502 2.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3430 -0.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7928 3.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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28 29 1 0 0 0 0
28 56 1 0 0 0 0
M END
$$$$