B5NHR3 -OEChem-04042105133D 53 53 0 1 0 0 0 0 0999 V2000 4.0424 0.4846 -1.0389 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6763 -1.9361 -2.6662 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4715 0.1185 -1.6539 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9785 2.1643 -1.7194 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0336 -0.2772 -1.2503 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3698 -0.4912 0.2449 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4131 -2.2464 2.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8381 0.6419 -0.2108 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 2.8071 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9653 3.0927 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 2.9985 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 2.8359 0.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 2.6125 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5743 1.3766 1.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9817 -1.5106 -0.7024 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1033 2.7629 0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3776 0.4283 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4962 -2.7807 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -2.6015 0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9662 -1.0023 -1.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2942 1.8498 -0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9944 -2.8035 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1282 -2.6295 1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 -2.0866 2.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9927 -2.2641 2.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2858 -1.5437 -3.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8204 3.4581 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 1.7765 1.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8634 2.5173 -0.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9226 4.1477 -0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6917 4.0433 0.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 2.3836 -0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4769 3.4693 1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1075 3.1407 0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6135 1.5742 1.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7182 3.2432 2.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9372 1.1043 2.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6079 1.2509 1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8798 -1.7646 -1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8955 2.5682 1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2455 3.7953 0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8278 -0.4100 1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3319 -3.5866 -0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -3.1424 0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0943 -3.0949 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2045 0.3919 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1155 -2.7792 0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5519 -1.8008 3.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8626 -2.1221 2.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4317 -2.3824 -4.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 -0.6847 -4.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2424 -1.3101 -3.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1943 -0.7662 -1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 8 1 0 0 0 0 5 53 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 42 1 0 0 0 0 7 19 1 0 0 0 0 7 24 2 0 0 0 0 8 21 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 16 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 15 39 1 0 0 0 0 16 21 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 22 2 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 25 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M END $$$$