22833559 -OEChem-10221912503D 33 33 0 1 0 0 0 0 0999 V2000 3.8539 -0.5158 -0.0520 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 -0.6705 0.1839 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3774 1.8499 -1.3196 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7785 -0.0116 1.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 2.9993 0.0552 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8886 -0.9132 -1.6401 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -0.3644 -0.3646 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4419 -2.6089 -0.0935 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 0.9499 -0.4096 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 -0.5597 1.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5318 -1.6557 -0.7545 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2194 1.5715 0.0704 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7014 0.1478 0.3761 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7433 1.7209 0.4529 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7535 -0.9208 -0.2157 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1007 0.6169 -0.1917 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5572 0.6867 0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1105 -2.3224 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8087 2.3159 0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7084 0.0125 -0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6524 1.6529 1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0872 0.6958 -1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 0.5575 1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0034 1.6472 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -2.4083 1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4529 -3.0739 -0.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3218 1.7562 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4076 0.6494 2.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8235 3.6692 0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 -1.7862 -1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6466 -3.5036 0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4061 1.0933 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7883 -0.7197 1.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 12 1 0 0 0 0 3 27 1 0 0 0 0 4 13 1 0 0 0 0 4 28 1 0 0 0 0 5 14 1 0 0 0 0 5 29 1 0 0 0 0 6 15 1 0 0 0 0 6 30 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 M END > 22833559 > 0.6 > 1 137 116 143 101 150 99 126 76 11 84 135 107 92 121 91 65 38 21 128 31 144 73 136 134 132 12 119 5 122 120 133 62 61 95 68 131 85 93 105 88 110 58 60 106 86 79 25 109 83 56 104 39 89 114 78 46 130 145 69 66 48 41 140 67 100 152 6 52 18 7 124 139 37 43 151 146 153 77 72 148 53 22 10 14 103 96 64 55 9 74 40 123 4 70 29 115 36 94 54 49 42 141 30 80 102 44 149 71 59 50 127 147 117 142 8 112 3 47 90 20 34 111 97 2 81 118 27 125 35 75 26 16 51 33 24 57 32 63 82 15 108 129 19 28 17 138 23 113 13 45 87 98 > 25 1 1.51 10 -0.77 11 -0.7 12 0.28 13 0.28 14 0.28 15 0.56 16 0.28 17 0.28 18 0.28 2 -0.56 27 0.4 28 0.4 29 0.4 3 -0.68 30 0.4 31 0.4 32 0.5 33 0.5 4 -0.68 5 -0.68 6 -0.68 7 -0.55 8 -0.68 9 -0.77 > 5.2 > 16 1 10 acceptor 1 11 acceptor 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 1 6 acceptor 1 6 donor 1 8 acceptor 1 8 donor 1 9 acceptor 4 1 9 10 11 anion 6 2 12 13 14 15 16 rings > 18 > 4 > 1 > 0 > 0 > 0 > 1 > 1 > 015C699700000001 > 10.8862 > 81.305 > 10616163 171 18412548678540553750 10989021 7 18196653119037165097 11132069 177 18272081669997555768 12553582 1 18336831978218571122 13024252 1 17530967964834421393 13296908 3 18343866606684783822 16945 1 18340776939986866337 18186145 218 17240485789032379318 20281475 54 18342463651290832138 20645476 183 17896599488256961845 20871998 184 18131355219280949751 20871999 31 18408316705154811765 21296965 67 18339640173749370347 22959321 105 18334856138854468164 23402539 116 18201149963118985061 23419403 2 17487029392982054137 23557571 272 18273225183396617324 23559900 14 18270397184251312822 2748010 2 18198325424472661600 4175511 318 17968937470470938005 9709674 26 18200316494523993766 > 315.59 7.38 2.55 1.12 10.2 0.15 0.11 -3.05 0.11 -2 -0.22 -0.26 -0.06 0.17 > 622.393 > 188.9 > 2 5 10 $$$$