D40DVS -OEChem-06062108552D 53 55 0 1 0 0 0 0 0999 V2000 4.4839 -5.3238 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1865 0.1707 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5660 1.3967 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9836 2.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 1.8786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -0.8238 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5714 1.2922 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4839 0.6762 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5704 0.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3794 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9013 1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 -1.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 -1.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 2.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 -2.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 -0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9956 -1.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -2.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6179 -2.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 4.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6647 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1647 0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -3.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6179 -3.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 -4.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 5.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4515 0.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0688 -0.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8804 -0.2675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9994 1.6707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4442 2.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9605 0.0686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5620 0.7588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3997 1.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4864 0.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 -0.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8734 -1.4314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8175 -1.7987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6145 -1.7987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1245 -1.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8869 -2.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -2.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7449 4.9608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 4.1681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2813 -0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8869 -4.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -4.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 4.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1278 5.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2618 5.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 19 1 0 0 0 0 2 25 1 0 0 0 0 3 17 1 0 0 0 0 3 23 1 0 0 0 0 4 17 2 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 19 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 20 24 1 0 0 0 0 20 43 1 0 0 0 0 21 26 1 0 0 0 0 21 44 1 0 0 0 0 22 27 2 0 0 0 0 22 45 1 0 0 0 0 23 29 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 26 28 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$