25137841 -OEChem-04262423473D 34 33 0 1 0 0 0 0 0999 V2000 -0.2701 -2.5655 -0.5519 P 0 0 1 0 0 0 0 0 0 0 0 0 0.8295 -1.4154 -0.8545 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5109 -1.7887 0.1319 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0227 0.9368 0.8624 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7415 1.9662 -0.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8069 -2.9559 -2.0281 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2475 -3.7317 0.2402 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8967 0.0779 2.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9391 1.9716 1.5654 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7202 -0.6353 0.9421 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1844 3.3150 -2.1533 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1271 0.6883 -0.5037 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4395 0.2742 -0.2620 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4450 -0.7645 0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7551 1.3267 -1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2352 -0.1189 0.3272 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0907 -0.6648 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7029 0.7798 1.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1546 0.3664 1.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0398 2.9378 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -0.2060 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6839 -0.3091 0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9622 -1.5130 0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3149 0.8747 -2.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4899 2.0824 -1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 -0.9262 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4641 -1.0074 -1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3235 0.0950 -0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9227 1.0006 0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5141 0.1125 -1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 -3.5648 -2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5035 0.9632 2.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 3.3485 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5354 0.6418 2.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 14 1 0 0 0 0 3 17 1 0 0 0 0 4 13 1 0 0 0 0 4 19 1 0 0 0 0 5 15 1 0 0 0 0 5 20 1 0 0 0 0 6 31 1 0 0 0 0 8 18 1 0 0 0 0 8 34 1 0 0 0 0 9 18 2 0 0 0 0 10 19 2 0 0 0 0 11 20 2 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END > 25137841 > 1 > 1 57 152 18 23 118 11 19 37 4 137 53 92 25 117 97 56 94 42 107 61 154 34 114 111 163 72 104 151 144 8 127 71 123 21 68 20 119 120 91 43 160 82 102 3 65 101 39 74 75 129 162 70 58 47 35 24 50 59 16 128 52 93 147 121 86 76 89 54 139 33 142 81 83 64 115 5 156 44 13 132 80 98 155 141 153 29 46 145 126 135 78 14 73 31 27 85 150 79 7 32 6 66 99 12 40 125 95 69 90 88 100 116 138 67 108 48 110 130 49 157 106 143 159 134 30 161 140 28 87 41 158 149 51 148 10 38 9 36 22 63 103 62 96 112 105 122 26 133 131 77 2 109 136 17 60 45 15 146 84 113 124 55 > 26 1 1.51 10 -0.57 11 -0.57 12 -0.99 13 0.28 14 0.28 15 0.28 16 0.33 17 0.28 18 0.66 19 0.66 2 -0.55 20 0.66 29 0.36 3 -0.55 30 0.36 31 0.5 32 0.06 33 0.06 34 0.5 4 -0.43 5 -0.43 6 -0.77 7 -0.7 8 -0.65 9 -0.57 > 12 > 9 1 10 acceptor 1 11 acceptor 1 12 cation 1 12 donor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 3 8 9 18 anion > 20 > 1 > 1 > 0 > 0 > 0 > 1 > 1 > 017F92B100000001 > 8.6197 > 45.743 > 10382601 240 18122640356885787226 11370993 70 18060132107244878809 12633257 1 17677922117650395041 13965767 371 18196943158089000273 14178342 30 18340784654075015561 192875 21 18339071722206398839 19930374 2 18190736445141881092 21524375 3 18272652337580440147 23419403 2 16831735529193368867 23598288 3 17624421169848011951 2748010 2 17976815385816792540 3286 77 17023468688909121771 4175511 71 18114742754358802708 539174 4 17768838388998815193 6992083 37 18337105778157074562 > 351.77 6.29 3.76 1.78 2.74 0.92 -0.09 -1.33 -3.43 -0.56 2.16 -0.35 -0.65 -1.03 > 670.405 > 214.5 > 2 5 10 $$$$