1305832 -OEChem-04252403223D 54 58 0 0 0 0 0 0 0999 V2000 4.4130 -0.8898 0.8285 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0353 -2.2707 0.1369 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8724 -1.9905 2.7636 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6665 0.5371 -0.7181 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1994 1.0667 -2.1808 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5306 -0.6760 -2.5341 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 -1.2990 -1.6579 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7895 1.5205 -1.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 0.2788 -2.9651 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1155 0.1978 -2.3387 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4693 -2.5475 0.5171 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1212 0.4036 -1.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1588 1.4057 -2.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4527 1.5713 0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4652 -0.5567 -0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2741 2.6910 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 1.4662 1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7279 -2.4887 1.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9863 0.9495 -1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 3.7233 1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2111 2.4987 2.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0305 3.6272 2.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0557 1.1056 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2524 -2.3160 1.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3714 0.8503 -0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7792 1.5126 1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0588 -2.4774 0.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4105 1.0023 0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8184 1.6644 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5501 -2.7434 -0.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6814 -2.1429 1.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1340 1.4092 1.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9399 -2.6729 -0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0713 -2.0725 1.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7005 -2.3376 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3552 2.4277 -2.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 1.4094 -3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0813 2.7781 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7837 0.5895 1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 -2.8205 2.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 -3.2474 0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7002 4.6021 1.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4103 2.4225 2.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8659 4.4307 2.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9451 -2.8112 -0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6149 0.5347 -1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7658 1.7126 1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4349 0.8037 -0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6031 1.9791 2.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 -3.0025 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2702 -1.9229 2.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9429 1.5267 2.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4302 -2.8785 -1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6651 -1.8107 2.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 35 1 0 0 0 0 3 24 2 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 15 2 0 0 0 0 8 19 2 0 0 0 0 9 10 2 0 0 0 0 10 19 1 0 0 0 0 11 24 1 0 0 0 0 11 27 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 21 2 0 0 0 0 17 39 1 0 0 0 0 18 24 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 23 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 25 28 1 0 0 0 0 25 46 1 0 0 0 0 26 29 2 0 0 0 0 26 47 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 32 2 0 0 0 0 28 48 1 0 0 0 0 29 32 1 0 0 0 0 29 49 1 0 0 0 0 30 33 1 0 0 0 0 30 50 1 0 0 0 0 31 34 2 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 33 35 2 0 0 0 0 33 53 1 0 0 0 0 34 35 1 0 0 0 0 34 54 1 0 0 0 0 M END > 1305832 > 1.2 > 1 84 70 35 150 186 164 92 200 31 171 210 120 181 144 197 117 4 83 105 11 24 156 73 143 122 115 33 129 140 174 16 159 38 93 45 132 94 113 193 49 15 60 153 135 167 126 46 195 67 80 12 23 130 208 66 119 86 19 2 26 148 147 116 8 180 151 53 182 100 89 47 78 194 201 178 114 166 74 168 111 205 21 13 138 97 85 62 65 25 14 9 104 185 188 109 124 173 88 183 6 96 146 191 10 79 152 141 41 189 187 17 101 55 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0013ECE800000001 > 97.1918 > 53.301 > 10675989 125 15521758559873355268 11578080 2 18193576668492090468 12104220 1 18053088533754647946 12156800 1 15891459642049363558 12293681 4 18059309659978989072 12403259 327 18341617001087840029 12422481 6 18041554728759558138 12633257 1 18342737390519921624 12788726 201 18056488240465477024 13165053 137 14824806244970238368 14955137 171 18194964041380611250 18336668 15 17970343720405258762 20691752 17 17458338680057312075 20764821 26 18339916121198169152 2818148 4 17894636941342477318 35225 105 18341604915360936469 392239 28 18122311676862296058 5895379 119 17917711275293411378 6086070 43 18125704713711356957 > 671.14 8.52 4.33 2.74 6.46 0.48 1.06 2.08 -2.21 -2.11 -2.47 -0.69 0.28 -0.34 > 1467.66 > 368.9 > 2 5 10 $$$$