BDT3P2 -OEChem-04022106143D 45 47 0 1 0 0 0 0 0999 V2000 3.6575 3.8549 1.5383 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9825 0.7861 -1.4601 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7407 2.0020 -1.7384 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7529 -0.1499 -2.5563 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5999 1.6071 1.4257 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4007 0.2778 -0.4062 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7447 -0.0518 -0.1411 N 0 0 1 0 0 0 0 0 0 0 0 0 4.2722 0.2821 -0.0571 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9955 -1.2906 -1.1685 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 -2.4197 0.8473 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2593 -3.6058 -1.0558 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4282 1.2558 -0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 0.7749 -0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6675 0.4028 -0.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0494 -1.2272 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4282 0.7783 0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0713 2.0167 0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2835 2.4833 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9574 2.8632 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0502 -0.0398 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0105 -1.0921 1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4198 -2.4937 -0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3283 2.3687 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 0.8359 0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3786 1.4782 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3419 -2.2231 1.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7512 -3.6247 0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7122 -3.4893 1.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3002 -2.3601 -0.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5479 -0.5532 -1.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3257 0.3418 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 1.7928 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 3.1617 -0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0198 3.8294 0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7249 -0.1198 1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 -2.6087 -0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3746 1.6999 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4637 -2.1180 2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0394 -4.6108 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1918 -4.3699 1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5507 1.6488 1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 -1.5884 1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8951 -3.3065 1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -3.7222 -2.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -4.4428 -0.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 5 24 1 0 0 0 0 5 41 1 0 0 0 0 6 24 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 20 2 0 0 0 0 8 25 1 0 0 0 0 9 20 1 0 0 0 0 9 29 2 0 0 0 0 10 29 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 29 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 13 20 1 0 0 0 0 14 30 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 24 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 21 26 1 0 0 0 0 21 35 1 0 0 0 0 22 27 2 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 25 37 1 0 0 0 0 26 28 2 0 0 0 0 26 38 1 0 0 0 0 27 28 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 M END $$$$