20957053 -OEChem-05102421043D 57 60 0 1 0 0 0 0 0999 V2000 3.3197 2.2551 0.8436 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6642 0.3173 1.4512 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0825 0.2617 -0.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9355 1.7840 -1.7148 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9173 -2.1422 -0.3902 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 -2.7959 -0.7231 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 -1.5223 -0.5619 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5297 -3.3789 0.4425 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4113 -1.1946 0.3037 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 2.8885 -0.7851 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5525 3.3312 -0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7217 2.1837 0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7501 4.0486 -1.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3245 -0.4246 -2.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0326 -1.2335 -2.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5028 0.5501 -1.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 1.6394 1.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0079 -2.0605 -1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2896 -2.9813 0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6899 2.2103 2.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1631 -1.7703 0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -3.2430 1.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8718 -2.6725 1.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2487 1.1726 3.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7848 -0.3252 -0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2104 0.0412 2.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2105 0.1247 -0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5381 1.2790 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2174 -0.6440 -1.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8727 1.6643 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 -0.2585 -1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8795 0.8956 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5123 2.5791 0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6121 4.1599 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0251 3.7137 -1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 1.3828 -0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2753 2.5617 0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 1.9271 -2.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7696 3.7390 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8166 4.8869 -0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2757 4.4090 -2.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3341 0.1193 -3.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1992 -1.0864 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1748 -0.5524 -2.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -1.9084 -3.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 3.2447 2.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -3.8979 2.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6435 -2.8382 2.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6322 1.2406 4.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1048 0.5308 -0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6874 -0.8505 -1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -1.3853 1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5196 -0.9820 2.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9787 -1.5473 -1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1447 2.5609 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3362 -0.8573 -1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9186 1.1954 -0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 17 1 0 0 0 0 2 26 1 0 0 0 0 3 16 2 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 4 38 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 18 2 0 0 0 0 7 21 2 0 0 0 0 8 19 2 0 0 0 0 9 21 1 0 0 0 0 9 25 1 0 0 0 0 9 52 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 17 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 17 20 2 0 0 0 0 19 22 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 26 2 0 0 0 0 24 49 1 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 29 54 1 0 0 0 0 30 32 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 M END > 20957053 > 1.6 > 1 100 14 32 62 95 16 48 79 60 5 96 69 82 106 56 50 75 72 76 33 11 137 89 124 88 91 63 59 44 77 22 53 116 85 73 115 46 45 119 42 112 20 114 87 92 41 80 83 67 108 105 34 107 28 10 99 40 30 51 25 55 109 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18118423949828641796 14114206 34 16843872067374338377 14279260 333 18200026224081995630 17492 54 18338780248809560935 20775438 99 16045287215654937951 21927370 108 18046647860167680442 238 59 17977664204108402937 394222 165 17900808363160646467 460360 51 18040716927513262346 469060 322 17749681795360608963 484985 159 17060340751259317237 508706 21 18410011061675066160 57527306 92 18060147544195987235 7288768 16 17531813428967186985 9981440 41 17968098556025869425 > 618.79 11.32 4.59 2.66 25.49 0.09 -1.37 -5.59 5 -4.88 -0.34 -3.58 -0.44 0.41 > 1314.367 > 346.3 > 2 5 10 $$$$