B9KVP1
-OEChem-04042103523D
47 50 0 0 0 0 0 0 0999 V2000
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3.8797 -1.6535 -0.0416 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8526 -0.9367 0.0646 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0205 1.2134 -0.0146 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0437 1.9286 0.0063 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9392 0.5032 -0.0269 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4930 0.6156 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.8737 0.1116 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7122 1.0780 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.6620 2.2282 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.6675 1.3247 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1236 0.7142 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0117 3.0161 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5655 0.2593 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9402 -2.1042 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 -1.0490 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2763 -0.0868 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.9873 -0.4317 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3442 0.2636 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5231 -0.7060 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8605 0.0007 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1865 -0.4197 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6137 -2.3318 -0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0483 2.3434 -0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2628 1.7871 0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6164 2.9649 0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6228 2.9693 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5070 3.9871 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8548 -3.1846 0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7223 -1.9264 -0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2557 0.3851 0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0908 -2.0855 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2050 1.4857 -0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3924 0.9162 -0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3989 0.9071 0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4927 -1.3162 -0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4555 -1.3723 0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3229 0.1952 1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4005 0.1589 -0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8775 -1.2656 0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 15 2 0 0 0 0
3 25 2 0 0 0 0
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29 45 1 0 0 0 0
29 46 1 0 0 0 0
29 47 1 0 0 0 0
M END
$$$$