B0NCM2 -OEChem-04012115293D 55 59 0 0 0 0 0 0 0999 V2000 4.1717 0.2899 -0.6279 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0934 -1.5006 0.8554 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2807 -0.7757 -1.6164 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 1.4563 -0.7343 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7672 1.6447 -0.9146 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6021 -1.6449 -1.7911 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3397 -0.3768 0.9432 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5344 2.1155 -0.5266 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2139 -0.0238 -1.3374 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 -4.0286 0.3847 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2465 -1.5362 1.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7005 -1.3823 0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3186 -1.5316 2.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7623 3.5825 1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 3.1121 2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6117 4.5817 2.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 -2.8391 0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8475 3.4726 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5121 0.8289 -0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 1.6952 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1554 0.4076 -0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 1.2736 -0.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 -0.0260 -0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 2.1138 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8748 2.5438 -0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9035 -0.5184 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2661 -0.9458 -1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5635 -1.9751 -0.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 -3.3504 -0.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1665 -3.1548 1.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5965 -3.5080 2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0607 -0.4118 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2015 -2.2160 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5677 -2.4636 2.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4067 -0.6584 2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7661 3.4327 1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 2.6269 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7983 2.7364 1.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3103 5.1863 1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1743 5.0834 2.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 -2.9641 1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2257 -3.6943 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 -2.8981 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5091 -0.4255 1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 4.1930 -0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8562 3.7418 -0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7296 -1.0345 -1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9812 2.8020 0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 3.5664 0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9406 -1.4492 -2.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1854 -0.4041 -2.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1747 -3.9164 -1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5918 -4.5945 2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6129 -3.1521 2.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9226 -3.0761 3.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 19 1 0 0 0 0 2 28 1 0 0 0 0 2 30 1 0 0 0 0 5 22 2 0 0 0 0 6 26 2 0 0 0 0 7 11 1 0 0 0 0 7 44 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 9 22 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 29 1 0 0 0 0 10 30 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END $$$$