B1W2QI -OEChem-04012113343D 55 58 0 0 0 0 0 0 0999 V2000 0.4879 -2.4091 2.1455 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 3.1067 -0.5325 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1419 -1.1090 -0.2599 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1099 1.3717 0.4445 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4891 -2.3096 0.9317 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 0.5341 0.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2037 1.6424 0.3799 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 1.9236 -0.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2174 4.2170 -0.1331 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9984 4.3957 0.7680 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3065 1.2237 -1.6174 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2217 -2.1714 -0.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5108 -1.6216 -0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 -2.7802 -2.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0281 -2.2125 -1.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0956 -3.2983 -1.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6795 -0.5053 0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3115 0.0986 0.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0785 -0.4284 0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2691 -1.7555 1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0891 2.3324 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -1.5957 0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4763 -0.8164 0.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8838 -3.6599 1.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 3.7057 0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4727 -0.0981 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2093 1.1942 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6339 -0.7433 -0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1553 1.8097 -1.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5163 -0.0410 -1.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -2.9648 0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2186 -1.7871 -0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5572 -2.3832 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1825 -0.8059 0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9897 -3.5989 -2.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5913 -2.0246 -2.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1207 -1.4164 -2.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 -2.6277 -1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4276 -3.6338 -2.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1351 -4.1686 -1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3914 0.2359 1.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6456 -1.2631 1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9034 -0.9636 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9402 -2.3438 -0.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0168 -0.1032 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0223 -1.5073 1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8472 -3.6207 1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -4.2684 0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1491 -4.1246 1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3064 1.7201 -0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8581 -1.7577 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0115 5.4070 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1386 3.9481 1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0069 2.8242 -1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4452 -0.4930 -1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 7 1 0 0 0 0 4 18 1 0 0 0 0 4 21 1 0 0 0 0 5 20 1 0 0 0 0 5 22 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 8 21 2 0 0 0 0 9 25 2 0 0 0 0 10 25 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 29 2 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 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 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 26 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 M END $$$$