70595699 -OEChem-04182403193D 58 59 0 0 0 0 0 0 0999 V2000 2.8609 -3.2510 -0.1287 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 0.5738 0.7238 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9431 3.8043 -0.6156 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1823 -2.1552 0.9114 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9264 -2.2663 -0.7395 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5266 -0.9329 1.1008 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5705 1.9284 -0.6114 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6219 1.2606 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8641 1.5493 -0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 1.1636 -1.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3628 0.2827 -0.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1068 0.8853 -0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9441 3.2093 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5309 0.8380 -0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.0915 -0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4526 -0.3978 -0.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9092 1.5543 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0887 -1.9102 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 0.0191 0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 -1.3550 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6007 -1.0120 -0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0508 3.8843 0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0576 0.9401 1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4032 -0.3431 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6421 -3.7370 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7626 1.9859 0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0409 -2.3658 2.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0529 -2.8797 -1.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2917 -0.1815 2.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4351 0.1806 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7975 1.5576 0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0395 2.6287 -1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7003 1.2185 -1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8642 1.8614 -2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6615 0.5888 -2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.9073 -0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2163 -1.4670 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7884 -0.8688 -1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6475 2.5533 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 3.3703 1.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3932 4.9139 0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 3.9290 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6323 1.5188 1.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6263 -4.8208 -0.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5999 -3.5721 -1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7681 -3.3293 -0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7188 2.2547 1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9838 2.5289 1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8227 2.2861 -0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8504 -3.0222 2.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 -2.8502 2.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1163 -1.4176 2.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0283 -2.3264 -2.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0527 -3.0386 -1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4642 -3.8697 -1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1472 -0.8014 2.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6976 0.7320 1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7229 0.0194 2.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 25 1 0 0 0 0 2 19 1 0 0 0 0 2 26 1 0 0 0 0 3 13 2 0 0 0 0 4 20 1 0 0 0 0 4 27 1 0 0 0 0 5 21 1 0 0 0 0 5 28 1 0 0 0 0 6 24 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 22 1 0 0 0 0 14 19 1 0 0 0 0 14 36 1 0 0 0 0 15 18 2 0 0 0 0 15 37 1 0 0 0 0 16 21 1 0 0 0 0 16 38 1 0 0 0 0 17 23 2 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 21 24 2 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 M END > 70595699 > 1 > 1 77 123 103 53 31 107 160 15 172 127 132 178 173 76 81 35 16 12 159 155 96 186 198 118 48 156 200 150 55 25 19 49 119 101 165 126 85 122 86 37 140 196 152 62 169 36 50 202 90 116 147 11 32 197 72 29 139 129 69 74 26 162 210 180 68 47 187 75 9 21 100 87 115 120 109 209 148 23 204 185 206 61 124 70 60 154 153 20 33 207 67 174 106 137 205 110 56 130 195 168 18 91 27 157 135 39 136 28 94 80 203 166 138 78 6 51 38 46 97 163 183 141 24 199 184 108 164 181 176 5 64 42 43 71 104 167 133 4 45 57 182 117 59 30 79 201 170 114 192 13 95 66 211 142 82 7 73 179 89 194 134 143 102 41 88 105 193 151 208 58 65 10 111 175 125 34 92 17 171 131 40 99 3 44 112 190 145 84 149 144 8 121 146 188 22 191 2 177 63 113 158 161 98 54 83 128 14 189 93 52 > 34 1 -0.36 10 0.44 11 -0.14 12 -0.14 13 0.57 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 0.08 19 0.08 2 -0.36 20 0.08 21 0.08 22 0.06 23 -0.15 24 0.08 25 0.28 26 0.28 27 0.28 28 0.28 29 0.28 3 -0.57 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.36 43 0.15 5 -0.36 6 -0.36 7 -0.66 8 0.3 9 0.14 > 11 > 8 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 6 11 14 15 18 19 20 rings 6 12 16 17 21 23 24 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0435347300000001 > 123.626 > 40.614 > 10258939 38 17676195888780320468 10670039 82 8069758377194489767 1100329 8 18124308574551524388 12107183 9 18342188748131582129 12166972 35 17386012728257729062 12596602 18 17489592285297262803 12633257 1 18202014252457295685 146900 427 18130784590453822656 14863182 85 18336274483311251782 15250474 111 18199186368548485143 15537594 2 18338530706709266671 15927050 60 17764871682212370932 16110190 28 18272370871494032831 17492 89 18192993708475557806 17857418 61 18412542146000161653 1813 80 17676781885400697325 18335252 114 9367073215885165801 1979834 28 18059863817870715711 20775438 99 12544117742738972185 21033648 29 16128654158641055719 21197605 99 18336833073377729130 21315763 178 18272370897458859567 23559900 14 18269259305544057761 314194 84 18335420196466262069 3680242 22 18409453587298493139 3737641 26 18269839718338288470 392239 28 18339353076998060138 463206 1 18408888464202695115 5104073 3 18337953389636877761 613672 6 18194951959732072671 6823239 73 17559140780900088565 > 556.61 16.08 4.44 1.5 13.29 0.35 -0.49 -6.73 -8.66 -3.3 0.41 0.57 -0.62 -1.93 > 1157.795 > 319.5 > 2 5 10 $$$$