BK3V9T -OEChem-04042104563D 45 47 0 0 0 0 0 0 0999 V2000 3.0720 0.3899 -1.9178 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7793 3.0366 0.2271 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9653 1.0107 1.1097 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2623 0.8094 -0.7817 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8686 -2.3706 1.5767 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -1.8215 -1.4182 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1855 0.9379 0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2433 1.7193 1.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4772 -0.2013 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3465 0.9507 0.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.8387 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1548 -0.1380 0.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 -0.4095 0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9166 2.0176 0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 -1.2855 0.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 1.9785 -0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1698 1.9154 -0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0361 -0.2551 -0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6138 -1.3184 0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -0.6337 -1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6647 -1.4728 1.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4283 -0.2472 -1.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 -2.7103 0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6524 -2.8315 -0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5142 0.0907 -3.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1443 0.7880 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 1.5419 -0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7028 2.6749 1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0635 1.1733 2.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7261 -0.9246 1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2522 0.2223 1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2968 2.8582 -0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5457 2.7329 -1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2776 -2.1482 0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0701 -1.3490 2.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1530 -0.2703 -0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6168 0.6549 -1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5919 -1.1149 -1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5063 -3.1328 1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9361 -2.4149 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1681 -3.5531 1.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -3.7755 -0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0961 -0.6823 -3.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4637 -0.2053 -3.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5552 1.0005 -3.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 25 1 0 0 0 0 2 14 2 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 3 31 1 0 0 0 0 4 11 2 0 0 0 0 4 18 1 0 0 0 0 5 15 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 20 1 0 0 0 0 6 24 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 14 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 30 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$