LD9BV3 -OEChem-05032300303D 51 55 0 1 0 0 0 0 0999 V2000 4.6666 1.1966 0.3125 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 3.3763 0.6345 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7249 2.2003 0.7801 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 0.0553 1.1469 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8284 -2.2227 -0.5460 N 0 0 2 0 0 0 0 0 0 0 0 0 -4.2951 0.8162 -0.8078 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6472 2.8071 0.8513 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2839 -3.5657 1.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0234 -4.2842 2.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -2.7817 2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -3.5712 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8939 -1.8918 -1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3645 -1.4913 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6642 -0.6676 -1.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4151 -0.0709 -0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1233 0.4815 -0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7793 0.7814 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1453 1.3616 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5769 -2.1794 -0.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0157 -0.4233 -1.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6525 0.5777 -0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 1.9161 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8223 -0.1319 -1.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7874 -1.5134 -1.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9791 2.6023 0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1049 0.5948 -1.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 3.9953 1.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1839 2.0325 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7982 -3.6087 1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -4.7918 3.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9651 -4.7662 2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9034 -2.2616 2.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3726 -2.2808 3.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8405 -3.9622 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2558 -4.2685 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6014 -2.7283 -1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 -1.7918 -2.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5988 -3.2616 -0.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8091 -1.0299 -1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7021 1.6652 -0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2136 1.2357 -0.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3577 2.2192 0.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6858 -2.0894 -1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 1.4440 -1.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8812 -0.0562 -1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1874 4.6090 1.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8673 3.6870 2.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5807 4.5915 1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6026 2.4410 0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8764 1.3124 -0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9652 2.8392 -0.7924 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 26 1 0 0 0 0 1 28 1 0 0 0 0 2 25 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 6 41 1 0 0 0 0 7 22 1 0 0 0 0 7 25 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 2 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 22 2 0 0 0 0 18 25 1 0 0 0 0 19 24 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M END $$$$