B57XIP
-OEChem-04022107473D
44 46 0 1 0 0 0 0 0999 V2000
3.2457 -1.8078 -1.1109 S 0 0 0 0 0 0 0 0 0 0 0 0
3.2461 -1.7219 -2.5604 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2220 -2.6348 -0.4245 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7716 3.6990 0.9936 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6789 0.4969 0.6636 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5623 1.9330 -1.4553 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6866 -2.2005 -0.5644 N 0 0 2 0 0 0 0 0 0 0 0 0
-6.2361 1.4857 -1.3782 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5127 -1.5570 -1.2544 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4314 -2.1792 0.9197 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5175 -1.3896 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0084 -1.7459 1.0594 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8204 -0.9394 -0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7558 -1.6609 2.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4029 -0.1629 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6018 -0.8536 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0733 -1.2118 2.0957 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9961 0.9222 -1.2585 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9342 0.0497 0.7899 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9767 -0.3862 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1202 2.2199 -0.7627 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0583 1.3476 1.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6512 2.4327 0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4878 0.3343 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9123 0.7684 -0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3355 4.7618 0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1535 -2.2336 -2.0358 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7596 -0.5863 -1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0682 -1.4947 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5610 -3.1953 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1907 -0.6885 -1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3473 -1.9331 3.1772 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6808 -1.1418 2.9956 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5866 0.7825 -2.2549 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2703 -0.7773 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6153 -0.6448 1.5939 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7861 3.0166 -1.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4750 1.5074 2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8911 0.6422 -1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5036 5.6974 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2611 4.6991 -0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9297 4.8146 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6058 1.7923 -2.1106 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9472 1.2336 -2.0102 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
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1 15 1 0 0 0 0
4 23 1 0 0 0 0
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6 8 1 0 0 0 0
6 44 1 0 0 0 0
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12 14 1 0 0 0 0
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15 18 2 0 0 0 0
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26 40 1 0 0 0 0
26 41 1 0 0 0 0
26 42 1 0 0 0 0
M END
$$$$