B3A0DI
-OEChem-04022118033D
56 59 0 1 0 0 0 0 0999 V2000
2.5914 -0.7645 2.1648 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1086 -2.7046 -1.7224 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1630 -0.4970 3.2468 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4506 1.9068 1.8295 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8589 1.3311 2.1596 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0860 0.6557 -2.4798 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6503 2.6293 0.7489 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4239 3.3074 -1.0544 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0483 -1.3482 -0.3384 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1409 3.4533 -0.7408 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5768 -1.4318 0.0463 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9469 -1.7735 0.1959 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2355 -1.4889 -0.7466 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5557 -0.4377 1.2383 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7293 -1.1214 -0.9234 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3269 -2.0242 -0.4819 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9837 -0.6463 1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2365 -0.5394 2.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7735 1.0072 0.8253 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1384 -0.7450 -0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6957 0.3303 -1.3576 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9156 0.3160 1.2253 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2446 1.3778 -0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9598 0.3627 0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1677 -2.9795 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1253 -0.6881 -1.6873 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1530 -2.7162 0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0946 -1.0834 -1.3241 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7489 1.5087 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3478 2.7992 -0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9038 0.4527 -1.8642 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7124 1.5517 -1.0379 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6862 -2.4445 0.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6878 -2.6960 0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3187 -2.2862 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0632 -0.5560 -1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5976 -1.7393 -1.8235 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6501 -3.9344 0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1187 -3.2257 -0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3936 -2.5533 1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6277 -0.0850 2.8586 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6614 -3.5467 -1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2994 -1.5409 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5748 -2.8806 1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8627 -3.4612 -0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1872 -2.9353 0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9327 -1.6178 -2.2675 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2152 -0.0146 -1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0720 -1.3965 -0.9358 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3379 1.4349 2.6701 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1454 1.1584 2.7945 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6584 0.4811 -2.6444 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3275 2.4352 -1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2688 2.9930 -0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0799 4.4375 -0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2832 3.3010 0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
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3 18 2 0 0 0 0
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5 22 1 0 0 0 0
5 51 1 0 0 0 0
6 21 2 0 0 0 0
7 29 1 0 0 0 0
7 56 1 0 0 0 0
8 30 2 0 0 0 0
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9 28 1 0 0 0 0
10 30 1 0 0 0 0
10 54 1 0 0 0 0
10 55 1 0 0 0 0
11 13 1 0 0 0 0
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13 35 1 0 0 0 0
13 36 1 0 0 0 0
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16 20 1 0 0 0 0
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19 23 2 0 0 0 0
20 24 2 0 0 0 0
20 26 1 0 0 0 0
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22 24 1 0 0 0 0
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24 29 1 0 0 0 0
25 38 1 0 0 0 0
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25 40 1 0 0 0 0
26 31 2 0 0 0 0
26 43 1 0 0 0 0
27 44 1 0 0 0 0
27 45 1 0 0 0 0
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28 47 1 0 0 0 0
28 48 1 0 0 0 0
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29 32 2 0 0 0 0
31 32 1 0 0 0 0
31 52 1 0 0 0 0
32 53 1 0 0 0 0
M END
$$$$