B5MNL4 -OEChem-04022104363D 37 39 0 1 0 0 0 0 0999 V2000 -2.5829 1.4034 -0.1764 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4565 0.3441 0.6291 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2088 0.9807 -0.1522 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1053 -0.5550 0.1645 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1713 1.6523 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2601 1.6199 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0381 -1.2422 -0.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3071 0.9699 -0.6517 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3082 -0.4882 -0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -1.2097 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6224 0.9189 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6271 1.2435 -1.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5073 -0.5884 0.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4779 -0.8949 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3087 0.3148 0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7943 -2.2395 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9506 -2.2297 0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8204 -0.6429 1.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1432 2.7168 -0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3966 1.6336 1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8882 1.5833 1.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3937 2.6819 0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1384 -2.2822 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -1.2678 -1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2544 1.1871 -1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2736 1.3517 1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1134 1.1118 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 0.8001 -1.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9084 0.8385 -2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7044 2.3200 -1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2147 -0.7795 2.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4941 -1.0469 0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0747 -2.7005 -1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7985 -2.6511 -0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2182 -2.2158 1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1912 -3.0034 0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8354 -2.5232 -0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 18 1 0 0 0 0 5 8 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 11 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 14 2 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 M END $$$$