BC50OT -OEChem-04022116473D 38 39 0 1 0 0 0 0 0999 V2000 3.7039 -1.3952 -0.0927 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.1869 -1.1465 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6613 4.0696 -0.2464 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8229 -0.1500 -0.6364 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6718 1.2677 -0.5824 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5052 -3.2457 0.2828 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 -2.1046 0.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8237 -0.6731 0.8236 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2456 -2.3015 -1.1592 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5728 0.2853 -0.2989 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5072 3.1261 1.2574 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5742 -0.9824 -0.1497 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4811 2.1972 0.8130 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8485 2.8544 0.4797 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8321 1.4988 -0.4958 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4961 1.8270 -0.4415 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2748 0.7533 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8717 -0.8880 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9844 0.2689 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4392 -2.0837 0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9225 -2.1790 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6637 -3.3321 0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 1.4603 1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4554 3.0848 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 2.1629 -1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 2.2937 -1.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 0.2140 1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0948 1.2261 0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3827 2.6235 1.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6967 3.8121 0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2403 4.7040 0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2034 -0.8311 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5891 -1.0166 -0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9178 -4.1079 -0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 -3.7102 1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4153 -3.1680 0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0288 -2.9406 1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5483 -1.2148 1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 14 1 0 0 0 0 3 31 1 0 0 0 0 4 17 1 0 0 0 0 5 19 2 0 0 0 0 6 21 2 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 10 15 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 19 1 0 0 0 0 12 21 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 M END $$$$