B0C3GV -OEChem-04012114213D 53 57 0 0 0 0 0 0 0999 V2000 -2.1478 1.1784 -1.6382 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3159 -3.6081 -0.4172 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6516 2.2214 -0.5323 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7610 0.9985 1.2233 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -1.0135 -0.0534 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9043 -0.7514 -0.3046 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7295 0.6163 0.2599 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1895 2.5156 0.0949 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3801 2.2809 -1.3802 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9696 3.0436 1.3133 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4622 -0.8709 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8154 -1.4395 -0.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7183 -1.3040 -0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4283 -1.8753 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1150 -1.1921 -0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3561 -0.6372 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6623 0.1588 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5629 -2.7717 0.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8642 0.5854 -0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0139 1.0577 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0034 -1.3505 0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6475 0.3594 0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1663 -0.8497 1.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8492 -2.9378 1.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 1.8046 -0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7572 2.1776 0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4297 -3.9406 0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4569 -4.3161 -0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6544 3.6956 -0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0109 2.1633 1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7535 4.0012 0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5358 -1.1964 0.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4135 0.2249 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7485 -2.5358 -0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -1.1971 -1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -0.9549 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7681 -2.3997 -0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6043 -2.5032 1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7378 -1.2647 1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9414 -1.0557 0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1737 -2.2888 -1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0737 -0.8888 -2.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3765 1.1493 -1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6032 -2.3009 0.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6683 -1.3966 2.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3127 -2.4029 1.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7094 3.0618 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6930 2.2084 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4319 -4.3395 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4203 -5.0333 -1.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1957 4.2129 -1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8730 1.2639 1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3998 4.8622 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 2 28 1 0 0 0 0 3 20 1 0 0 0 0 3 26 1 0 0 0 0 4 22 1 0 0 0 0 4 26 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 6 40 1 0 0 0 0 7 17 2 0 0 0 0 7 25 1 0 0 0 0 8 25 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 25 2 0 0 0 0 10 30 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 18 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 18 24 2 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 45 1 0 0 0 0 24 27 1 0 0 0 0 24 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 31 2 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 M END $$$$