B2LMR0 -OEChem-04012112223D 37 41 0 1 0 0 0 0 0999 V2000 -0.2897 0.2724 -1.9214 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0376 1.0442 1.6956 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9993 3.0876 -0.6016 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4722 -0.6493 1.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2379 -2.1394 -0.4478 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9971 -1.4525 0.9646 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 1.8858 -0.1052 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4898 1.2509 -1.1778 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4912 0.8580 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3274 2.1763 1.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7077 0.5719 -0.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3637 -0.0129 -1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 0.4968 0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 0.7137 0.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2466 -1.0534 -1.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6499 -0.0229 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3974 -0.3330 0.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2640 -1.1877 -0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9989 -0.1959 1.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7538 -0.6968 -0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9251 -0.7877 0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9959 -1.7933 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9066 -2.0327 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8247 2.0144 -1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0303 3.0106 1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3694 2.5033 1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6439 1.3854 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5686 2.8740 -1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1425 -1.7214 -2.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 0.0281 -2.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1349 -0.2665 2.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4348 -1.1319 -1.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9987 -2.6527 1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0283 -1.5784 0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3891 -1.2690 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4242 -2.8110 -0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6973 -2.5206 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 28 1 0 0 0 0 4 17 1 0 0 0 0 4 22 1 0 0 0 0 5 18 1 0 0 0 0 5 22 1 0 0 0 0 6 21 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 15 2 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 27 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 16 20 2 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$