D04RDE -OEChem-10101305032D 86 91 0 1 0 0 0 0 0999 V2000 2.2988 6.5404 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0308 7.5404 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1006 16.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7385 12.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 1.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0308 7.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 7.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6289 5.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7629 3.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9319 16.4664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9859 15.1643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3373 13.9411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9196 14.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0308 3.5404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0308 8.5404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1778 16.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3687 17.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6778 18.2850 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8740 15.8024 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9868 17.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8681 15.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6778 18.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 16.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 16.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9868 16.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5183 15.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9305 14.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5128 15.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 13.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7495 13.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9141 14.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1562 12.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 13.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5684 11.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3154 13.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0308 4.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0308 6.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8968 5.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8968 6.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1648 3.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1648 5.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1648 6.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1648 2.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7629 4.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3558 1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6648 0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 17.6978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5096 15.3008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0422 18.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2968 16.7970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5532 17.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8024 15.1851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4743 15.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 17.2839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7426 18.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0713 18.4139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 16.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6426 15.9215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1111 16.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1225 17.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3188 13.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2355 12.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5157 14.6911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8709 15.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5869 11.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6702 12.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7193 13.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3641 13.0091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0668 11.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 10.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0700 11.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2506 12.9064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9320 13.4582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3802 14.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4338 6.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 3.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9528 3.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 2.9328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6279 4.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7661 1.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 8.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4939 8.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3004 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1658 4.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 15 1 0 0 0 0 2 37 1 0 0 0 0 3 28 2 0 0 0 0 4 29 2 0 0 0 0 5 43 1 0 0 0 0 5 47 1 0 0 0 0 8 44 1 0 0 0 0 8 86 1 0 0 0 0 9 44 2 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 61 1 0 0 0 0 11 25 2 0 0 0 0 11 27 1 0 0 0 0 12 27 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 31 1 0 0 0 0 14 36 1 0 0 0 0 14 40 1 0 0 0 0 14 77 1 0 0 0 0 15 82 1 0 0 0 0 15 83 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 25 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 24 1 0 0 0 0 18 50 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 49 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 55 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 30 32 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 33 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 34 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 35 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 36 38 1 0 0 0 0 36 41 2 0 0 0 0 37 39 1 0 0 0 0 37 42 2 0 0 0 0 38 39 2 0 0 0 0 38 44 1 0 0 0 0 39 76 1 0 0 0 0 40 43 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 41 42 1 0 0 0 0 41 80 1 0 0 0 0 43 45 2 0 0 0 0 45 46 1 0 0 0 0 45 81 1 0 0 0 0 46 47 2 0 0 0 0 46 84 1 0 0 0 0 47 85 1 0 0 0 0 M END $$$$