10146466 -OEChem-04192407453D 83 87 0 1 0 0 0 0 0999 V2000 -0.5881 4.4895 3.5278 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2018 7.1453 1.8557 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4496 -3.1749 0.5073 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9435 -5.9427 1.1663 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6731 2.4265 -2.4177 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5557 1.0398 -0.3827 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7992 -1.2668 -1.7563 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9691 -2.1663 0.1599 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6895 0.2934 -0.8829 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5357 0.0627 1.7301 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6739 0.7354 -1.4196 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2261 -0.9203 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9698 -0.9255 0.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8446 -0.7583 -1.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 0.2573 0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8866 0.4183 -1.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1869 -2.1673 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1181 -3.3237 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7598 1.3907 -1.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1685 0.1762 0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0015 -3.4427 -0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8649 -4.6370 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6516 1.0080 -0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6562 2.1402 -1.0030 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1641 -4.6884 -0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0877 1.7598 -0.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1866 3.4039 -0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6428 1.0782 -2.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2194 1.4031 -3.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4484 0.9762 2.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1001 3.4047 1.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 4.5490 -0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2717 -0.4495 -0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2522 -0.7237 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6737 4.5504 1.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4209 5.6948 -0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 5.6955 1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8902 -2.0442 0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1551 -3.2290 0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2627 -2.0671 1.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7923 -4.4367 1.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8999 -3.2749 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1647 -4.4597 1.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1927 -0.9303 1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -1.7939 0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7102 -0.5698 -2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3305 -1.6296 -1.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 1.1939 0.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 0.1400 1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3889 1.3764 -1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5941 0.4109 -2.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8576 -1.3349 -0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9715 -2.1216 -1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7624 -3.3535 -1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2536 -3.4050 0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7314 1.5851 -2.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1213 2.3112 -0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3742 -3.4659 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8794 -3.4423 -1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0889 -4.7449 1.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2282 -5.4847 -0.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6796 0.7617 0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9424 0.0849 -1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7321 -5.5871 -0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9353 -4.7546 -1.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7503 2.6318 -0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1039 1.4595 0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 -0.7484 2.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0448 0.2688 -3.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2876 1.9554 -2.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2108 1.7767 -4.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5783 0.5165 -3.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4511 0.5434 2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1390 1.0924 3.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4468 1.9461 1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3649 2.5172 1.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8981 4.5916 -2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2314 -0.6707 0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8137 0.0725 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1595 6.5784 -0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8509 -1.1535 1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9687 -3.2928 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6782 -5.3916 1.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 37 1 0 0 0 0 3 39 1 0 0 0 0 4 41 1 0 0 0 0 5 24 1 0 0 0 0 5 29 1 0 0 0 0 6 20 2 0 0 0 0 7 33 2 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 30 1 0 0 0 0 10 68 1 0 0 0 0 11 26 1 0 0 0 0 11 28 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 21 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 22 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 23 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 21 25 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 25 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 24 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 31 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 35 1 0 0 0 0 31 76 1 0 0 0 0 32 36 2 0 0 0 0 32 77 1 0 0 0 0 33 34 1 0 0 0 0 34 38 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 37 2 0 0 0 0 36 37 1 0 0 0 0 36 80 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 2 0 0 0 0 40 81 1 0 0 0 0 41 43 2 0 0 0 0 42 43 1 0 0 0 0 42 82 1 0 0 0 0 43 83 1 0 0 0 0 M END > 10146466 > 1.6 > 5 152 60 103 59 135 122 46 114 81 148 90 79 93 77 144 53 165 133 124 169 108 63 40 136 104 9 131 143 54 92 50 167 48 98 128 62 67 142 113 139 36 91 120 78 23 156 116 158 75 99 140 166 74 72 130 160 51 73 88 163 145 8 106 76 129 61 25 35 125 41 42 132 141 100 34 68 89 109 44 11 69 159 170 64 162 58 115 47 95 83 105 18 168 119 149 153 22 45 110 123 101 137 85 112 57 21 96 55 31 15 80 43 27 19 164 174 7 107 157 87 84 94 127 121 37 28 155 171 118 38 29 65 172 66 161 56 150 97 147 2 39 82 111 32 49 17 154 173 71 117 146 24 26 6 16 52 126 33 13 14 86 30 3 102 70 4 10 138 20 12 1 151 134 > 44 1 -0.18 10 -0.73 11 -0.66 12 0.33 15 0.27 16 0.27 17 0.27 18 0.27 19 0.27 2 -0.18 20 0.57 24 0.42 26 0.3 27 -0.14 28 0.3 29 0.28 3 -0.18 30 0.3 31 -0.15 32 -0.15 33 0.57 34 0.2 35 0.18 36 -0.15 37 0.18 38 -0.14 39 0.18 4 -0.18 40 -0.15 41 0.18 42 -0.15 43 -0.15 5 -0.56 6 -0.57 68 0.37 7 -0.57 76 0.15 77 0.15 8 -0.81 80 0.15 81 0.15 82 0.15 83 0.15 9 -0.81 > 13.6 > 11 1 10 donor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 cation 1 9 cation 6 27 31 32 35 36 37 rings 6 38 39 40 41 42 43 rings 6 5 11 24 26 28 29 rings 6 8 17 18 21 22 25 rings 6 9 12 13 14 15 16 rings > 43 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 009AD2A200000005 > 109.2207 > 55.823 > 10074138 170 17985280573163762793 10305334 12 16973630751679355927 10462674 369 18262801890136913949 11093857 5 17980495464157856078 11607047 403 17259364172112997145 117089 54 18261404368262973231 12633046 712 18337107960575968293 14400156 147 17974033887148863487 15347590 135 18262790895906846802 15448158 6 18260268598995719815 15664458 162 17187558885680621168 16090146 7 17831017927644964045 19611394 137 18264476459859081960 20501277 246 18127681832579133794 21716022 299 17897185682378289373 21796203 349 18127426754687682269 22889206 1 17692256647919666121 22956985 138 17901658598791366889 32027 91 18192148412142058919 3418910 222 18409452484547543804 4144715 1 18054510202225447536 42626532 9 18271516516367371968 4435113 14 17840029533715693806 57816373 69 18193276519678201903 > 854.87 16.68 10.84 2.53 10.47 8.72 -0.28 -31.6 3.68 -4.43 6.73 -1.43 2.92 5.11 > 1782.618 > 486.2 > 2 5 10 $$$$