DBI81F -OEChem-06062108582D 110117 0 1 0 0 0 0 0999 V2000 10.3084 -4.1695 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7328 3.2230 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1034 0.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4166 3.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4428 4.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1907 3.5274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6548 -0.7365 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9924 0.7264 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9722 0.4433 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4625 2.5392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9258 -0.6337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4536 -1.4830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0672 -1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5995 -2.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1531 0.3401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4275 -1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0024 0.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4234 1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7783 -2.1453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8773 -1.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5999 1.3714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6099 1.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3647 -0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3546 -0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9122 -2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2304 2.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2783 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -1.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6443 -2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4239 0.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2627 2.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6505 1.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9122 -3.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 -0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2783 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6443 -3.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7783 -4.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3915 1.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7436 0.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0752 2.7206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5382 -2.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8129 0.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5382 -4.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0491 2.4933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2575 1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2991 1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4443 -2.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 3.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4443 -3.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4848 2.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3391 1.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -0.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9023 -2.2050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7414 -0.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -1.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0733 -2.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9282 -2.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2865 -2.3141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0312 -1.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2626 1.4308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5379 1.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 1.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2573 -1.7114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7393 -2.3159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2773 2.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8030 2.1021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0632 1.8053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7580 -0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 -0.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1616 -0.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9014 -0.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7002 -2.0627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3017 -2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4174 2.7916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6800 2.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8172 -2.3159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2992 -1.7114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8004 -0.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5447 -0.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8691 2.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2394 2.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0619 0.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1780 1.4201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3017 -3.5377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7002 -4.2279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2029 -0.7285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5991 -1.5107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3813 -1.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3797 -4.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1768 -4.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0642 2.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7981 1.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1237 0.9321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4715 2.8615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5311 -1.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4329 0.9321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5311 -4.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6528 2.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6112 2.3811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9800 -2.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3785 3.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6054 4.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1918 3.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 1.3564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5189 0.9429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9325 1.7161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2824 1.9459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 51 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 11 1 0 0 0 0 2 46 1 0 0 0 0 16 3 1 1 0 0 0 3 36 1 0 0 0 0 4 29 1 0 0 0 0 4 37 1 0 0 0 0 7 52 2 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 8 28 1 0 0 0 0 9 18 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 22 1 0 0 0 0 10 25 1 0 0 0 0 10 31 1 0 0 0 0 11 52 1 0 0 0 0 11110 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 54 1 6 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 55 1 1 0 0 0 14 15 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 19 32 2 0 0 0 0 19 64 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 6 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 22 67 1 6 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 25 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 26 35 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 27 33 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 28 37 2 0 0 0 0 28 41 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 30 38 2 0 0 0 0 30 43 1 0 0 0 0 31 34 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 32 40 1 0 0 0 0 32 82 1 0 0 0 0 33 34 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 35 39 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 37 44 1 0 0 0 0 38 39 1 0 0 0 0 38 45 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 42 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 41 47 2 0 0 0 0 41 96 1 0 0 0 0 42 46 1 0 0 0 0 42 50 1 6 0 0 0 42 97 1 0 0 0 0 43 49 2 0 0 0 0 43 98 1 0 0 0 0 44 48 2 0 0 0 0 44 99 1 0 0 0 0 45 51 2 0 0 0 0 45100 1 0 0 0 0 46 53 1 6 0 0 0 46101 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 48102 1 0 0 0 0 49 51 1 0 0 0 0 49103 1 0 0 0 0 50104 1 0 0 0 0 50105 1 0 0 0 0 50106 1 0 0 0 0 53107 1 0 0 0 0 53108 1 0 0 0 0 53109 1 0 0 0 0 M END $$$$