BP3V0S -OEChem-04042104103D 57 60 0 1 0 0 0 0 0999 V2000 1.2785 0.4786 0.1875 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6373 0.4148 2.3394 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8554 1.2334 0.8221 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1880 1.6153 -0.1154 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3296 3.8786 0.1164 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 3.2326 -0.5624 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 0.5759 -0.8668 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4183 -1.9046 -0.0929 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1491 -0.7705 -2.1182 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6159 0.8137 1.5406 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7315 0.0284 2.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 0.4856 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0036 0.4659 1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0868 0.4831 1.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8062 0.5406 -0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3697 0.5087 0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5126 0.5036 -1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8791 0.5325 -1.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8261 -0.5075 -1.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1598 -1.7035 -0.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9978 1.6508 -0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0361 0.6763 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2313 -2.7337 -0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3987 -1.7840 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7471 -0.1770 1.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 0.9635 -0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5416 -3.8446 0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7090 -2.8946 0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 3.0120 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4358 -0.4561 -0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9468 -0.7431 0.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7249 0.3975 -1.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7804 -3.9250 0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6860 -1.0475 -0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4623 1.8955 1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8073 -1.0541 2.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0094 0.2332 3.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2141 -0.5953 1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3949 0.7379 2.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0876 0.5011 1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 0.5088 -2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2036 0.5637 -2.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1747 -0.7886 -2.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7415 -0.1011 -2.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2627 -2.6836 -1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1341 -0.9919 -0.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4149 -0.4035 2.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9746 1.6272 -1.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8186 -4.6467 0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6739 -2.9578 1.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4624 -1.3940 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0770 0.6419 -2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0221 -4.7898 1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9829 4.7930 0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1364 -2.1695 0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2897 -2.3059 -0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0327 -1.2759 -2.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 3 22 1 0 0 0 0 4 21 2 0 0 0 0 5 29 1 0 0 0 0 5 54 1 0 0 0 0 6 29 2 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 8 34 1 0 0 0 0 8 55 1 0 0 0 0 8 56 1 0 0 0 0 9 34 2 0 0 0 0 9 57 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 29 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 45 1 0 0 0 0 24 28 2 0 0 0 0 24 46 1 0 0 0 0 25 31 1 0 0 0 0 25 47 1 0 0 0 0 26 32 2 0 0 0 0 26 48 1 0 0 0 0 27 33 2 0 0 0 0 27 49 1 0 0 0 0 28 33 1 0 0 0 0 28 50 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 M END $$$$