11749858 -OEChem-03282403573D 52 54 0 0 0 0 0 0 0999 V2000 2.5992 0.9529 1.4109 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6752 2.3277 -0.7672 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1523 2.1211 -1.6204 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6617 -2.5982 -0.5497 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2449 -2.4989 1.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0621 -1.6713 -2.2761 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8311 2.8085 0.5476 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2793 -1.5097 1.3859 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1106 0.0384 -0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8586 -0.6387 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -0.2279 -2.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 0.9922 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5085 -0.0395 1.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7913 -1.6905 0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4382 1.9610 -0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0258 -0.4149 2.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3294 -2.0903 1.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5462 -1.9827 -3.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6939 -2.1529 -2.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 -1.4622 2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1058 3.8566 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5357 3.3479 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6104 1.3571 -0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4228 0.0660 -1.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7512 1.6609 0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5166 -0.6176 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3758 -0.9214 -0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7042 0.6736 0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5104 -1.6471 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3432 0.2934 -2.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 0.1706 -2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1094 -2.1892 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 0.0770 3.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0535 -2.9006 1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5924 -1.6778 -3.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -1.4883 -4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5166 -3.0635 -3.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9914 -1.6768 -2.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6484 -3.2360 -2.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -1.9847 -1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0628 2.6789 1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 4.6551 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 4.2535 -0.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3864 -1.7934 3.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 2.9737 1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2185 4.1712 -0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5347 -0.1761 -1.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9514 2.6612 0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2088 -1.9224 -1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5933 0.9576 1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2432 -0.7545 2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7760 -3.0419 2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 15 2 0 0 0 0 4 29 2 0 0 0 0 5 8 1 0 0 0 0 5 52 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 15 1 0 0 0 0 7 21 1 0 0 0 0 7 41 1 0 0 0 0 8 29 1 0 0 0 0 8 51 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 17 20 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 47 1 0 0 0 0 25 28 2 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > 11749858 > 1 > 1 67 59 192 170 82 178 84 194 140 81 64 98 74 9 164 86 77 147 61 186 117 49 114 177 100 197 145 141 36 79 102 152 106 42 205 96 94 126 155 138 165 33 41 136 179 123 119 121 107 188 132 110 183 148 8 161 125 45 128 20 190 174 5 173 116 175 162 207 146 163 127 185 139 171 104 53 43 143 24 193 105 169 134 31 191 16 133 21 166 78 122 196 89 156 150 23 201 144 93 118 35 97 198 48 120 111 113 101 15 99 80 27 85 76 51 47 172 157 3 153 90 83 13 202 103 32 195 115 55 29 154 2 189 58 180 92 200 52 63 19 72 25 56 160 187 91 46 38 18 11 208 203 135 204 6 181 26 10 149 158 70 168 131 62 4 137 7 28 184 109 34 112 69 167 17 159 60 14 108 12 30 142 88 130 22 71 129 37 87 124 54 182 40 57 199 66 44 151 73 95 176 206 68 65 75 50 39 > 39 1 -0.28 11 0.45 12 0.05 13 0.14 14 -0.15 15 0.71 16 -0.15 17 -0.15 18 0.27 19 0.27 2 -0.36 20 -0.15 21 0.3 22 0.28 23 0.08 24 -0.15 25 -0.15 26 0.09 27 -0.15 28 -0.15 29 0.54 3 -0.57 32 0.15 33 0.15 34 0.15 4 -0.57 41 0.37 44 0.15 47 0.15 48 0.15 49 0.15 5 -0.44 50 0.15 51 0.37 52 0.4 6 -0.81 7 -0.73 8 -0.39 9 -0.18 > 10 > 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 6 cation 1 7 donor 1 8 donor 5 1 9 10 12 13 rings 6 10 13 14 16 17 20 rings 6 23 24 25 26 27 28 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 6 > 00B349E200000001 > 72.6381 > 50.85 > 10622 236 17170092769219738970 10794284 68 17981033426581509008 10928967 22 18187369830937569211 11370993 144 16844161225952361624 11497681 19 17315342637171203466 11763715 3 17387979660740745532 12166972 35 17095239207127574515 12422481 6 17845921962198330982 12925494 130 17487072063772199497 15510800 12 18271523100815909247 17913733 40 16270488887388423562 19315092 285 17676204680197411284 19319366 153 17828485000651706860 1979834 28 17775009011351848919 21315764 119 16443609235059828927 22122407 14 15194713494519888273 23559900 14 17771065986967621876 25222932 49 18044095893510442986 2748736 6 10879997939283133683 439807 62 17821446872598764315 44062 13 17823122463715988197 50009960 94 17827894520089930147 508706 21 18126001564153561549 5104073 3 18342459270635843601 57724786 102 12607409883756112120 59025328 239 15792564146488533362 6034566 193 10807649060594540281 613672 6 18271799082551040933 6201460 15 17317305238649762579 6371380 46 16837703669645545376 66674814 147 16516521080564669666 6823239 73 18200327545273944798 7970288 3 18260257530268483979 > 552.52 14.78 3.76 2.75 17.49 2.43 0.56 -14.49 -8.56 2.82 0.47 -5.18 -2.23 1.58 > 1185.112 > 308.3 > 2 5 10 $$$$