B03LKE -OEChem-04022100162D 53 55 0 1 0 0 0 0 0999 V2000 4.0650 5.4629 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 1.9988 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 -3.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 0.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6454 -4.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9310 2.4988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1990 1.4988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 -0.5993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 1.1327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0428 -2.5478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3016 -1.5819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4417 -3.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7005 -2.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8218 -3.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2684 -1.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9927 -2.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8794 -4.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9397 -4.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 -5.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -3.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 2.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 2.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 3.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0650 3.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 4.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 4.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8228 -3.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5216 -0.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2468 -3.6452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0357 -3.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2945 -2.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8955 -1.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4159 -3.8822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2384 -3.8726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2633 -1.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 -1.8093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5393 -2.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1850 1.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -4.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 -5.0772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -5.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 -5.6749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4938 -6.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 -5.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1803 -3.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 -3.0009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0151 -3.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 2.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6850 3.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 3.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 5.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 9 1 0 0 0 0 2 23 1 0 0 0 0 3 16 1 0 0 0 0 3 18 1 0 0 0 0 4 17 2 0 0 0 0 5 18 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 9 17 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 1 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 6 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 28 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$