B3I0TD -OEChem-04042107293D 51 54 0 0 0 0 0 0 0999 V2000 -2.5332 -0.6588 0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3543 0.5443 -2.3374 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8975 1.6620 2.2924 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9891 0.8254 0.7026 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5794 3.4844 -0.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9781 1.9797 -1.6057 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2455 2.5238 0.6576 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6159 0.7606 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1287 -0.6586 0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8772 0.7780 0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9474 1.0805 -1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 1.6853 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5312 -0.3695 0.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5855 1.9407 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6677 2.7092 -0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 -0.3538 0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9714 1.9563 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0931 -1.9452 0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 0.8090 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5811 -1.8742 0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3917 -1.5635 1.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1362 -2.1198 -0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7071 -0.2491 0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7750 -1.4978 1.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5195 -2.0541 -1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3389 -1.7431 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4117 -0.7303 -1.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7006 -0.8140 0.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1343 -1.8134 -1.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4233 -1.8970 0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1401 -2.3967 -0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.9695 1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7143 -1.3930 -0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0567 -1.3127 0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0821 2.8437 -0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2405 2.1474 -2.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7054 3.0938 1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8514 -2.2724 1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6641 -2.6797 -0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4076 -1.2545 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 2.8653 -0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9628 -1.3683 2.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5071 -2.3605 -1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4131 -1.2549 2.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9586 -2.2443 -2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4159 -1.6916 -0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6498 -0.2789 -1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9218 -0.4265 1.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9175 -2.1992 -2.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2066 -2.3512 1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7036 -3.2390 -1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 19 1 0 0 0 0 4 23 1 0 0 0 0 5 15 2 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 36 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 14 17 2 0 0 0 0 14 35 1 0 0 0 0 16 19 2 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 43 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 26 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 31 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 M END $$$$