B3XUB2
-OEChem-04022109553D
59 61 0 1 0 0 0 0 0999 V2000
1.4475 0.8168 0.5986 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2364 -0.5583 2.1034 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6188 -0.9165 0.8219 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3885 -3.4847 -0.4525 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1937 -2.2510 -1.9385 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0695 4.9903 -0.0773 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9350 1.2184 0.9319 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2567 1.2855 -0.0509 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2740 -0.4994 1.1244 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0182 -0.1902 1.5339 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5735 -0.9035 1.7993 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2628 1.5949 0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5399 2.6817 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4737 -2.3181 2.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9586 0.0896 2.8994 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3964 1.5175 1.2567 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5349 2.9612 -1.9242 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8105 3.7219 0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4534 0.7049 1.1112 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4548 -1.7696 -0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 4.2540 -2.3638 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6341 -0.2286 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0559 5.2239 -1.4088 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8053 -1.3341 -1.3877 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9371 -3.0761 -0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4489 -1.4585 0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6380 -2.2051 -2.4644 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7698 -3.9470 -1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1202 -3.5116 -2.3858 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6411 -2.4081 -0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7323 1.8979 1.7718 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0612 0.6237 -0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9927 -1.1873 0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7510 -0.2395 2.3449 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3052 -0.9367 0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2164 2.6358 -0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4173 1.0021 -0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4544 -2.6973 2.6829 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0300 -3.0363 1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8341 -2.3291 3.2653 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9038 -0.2092 3.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1312 1.0923 2.4926 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1978 0.1565 3.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3599 2.1772 2.1199 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3284 2.1821 -2.6527 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8413 3.5711 1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2426 0.7508 1.8575 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7982 4.4950 -3.4207 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6781 -0.5824 -0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1531 0.3042 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2661 6.2478 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4585 -0.3106 -1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4705 -3.4233 0.7258 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9375 -2.0033 1.1516 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4408 -1.1538 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1406 -1.8632 -3.3673 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1515 -4.9622 -1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9932 -4.1888 -3.2254 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5180 -4.1052 -1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
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4 59 1 0 0 0 0
5 30 2 0 0 0 0
6 18 1 0 0 0 0
6 23 2 0 0 0 0
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7 12 1 0 0 0 0
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28 57 1 0 0 0 0
29 58 1 0 0 0 0
M END
$$$$