60183756 -OEChem-04262411523D 89 94 0 1 0 0 0 0 0999 V2000 1.0743 1.1844 1.2833 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9108 -2.1237 -1.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3093 0.0925 -4.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4743 -0.1236 -1.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2772 0.1060 -1.8105 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1989 3.6821 1.2550 N 0 0 2 0 0 0 0 0 0 0 0 0 0.7359 -1.9606 -1.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9482 1.9248 -0.1019 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8219 2.3399 0.8794 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4065 1.2101 -1.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8127 3.3173 0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 0.4710 -2.5765 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8168 3.1331 -0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 -1.5908 -0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 -1.2460 -1.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7065 -1.6946 0.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4262 0.6549 2.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7285 -1.3826 1.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3742 -2.1765 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6149 -0.2809 2.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2095 -2.3204 -0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4793 -0.2509 -3.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 0.1577 -1.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4172 4.1549 0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3081 4.7094 2.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5331 -2.0209 -2.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8589 -2.2152 1.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 -2.5148 2.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6486 -0.0487 3.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5229 -2.7688 -0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2313 3.0164 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8734 -1.9614 2.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7061 -2.9648 1.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -0.8780 3.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -3.0870 0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6939 2.0114 0.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5225 2.9660 -1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4481 0.9563 0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2766 1.9111 -1.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7393 0.9062 -0.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6111 -0.5017 -0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4941 0.4686 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8727 -1.8529 -0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6388 0.0878 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0175 -2.2338 0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9005 -1.2633 0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5946 1.2221 0.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3025 2.7998 1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4114 0.8013 -1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2811 1.9081 -2.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3438 2.8154 -0.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 4.2097 -0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4207 1.5467 -2.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 3.8130 -1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7478 2.8235 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0963 3.7000 0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5612 0.0932 2.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 1.4735 3.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3459 0.0796 -4.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5328 -1.3393 -3.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9365 -0.9112 -1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6523 0.5500 -0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5882 0.6223 -2.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1839 4.8979 -0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0699 4.6690 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5787 5.6329 1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4493 4.9561 2.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1813 4.3615 2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 -1.1770 -3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4859 -1.9678 -3.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0477 -2.9686 -2.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9597 -3.0736 1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0277 -2.4291 3.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 0.7888 4.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9632 -2.8709 -1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7426 -2.6109 2.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2973 -3.2227 2.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5567 -0.6789 4.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 -3.4436 0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3665 -0.3622 -5.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 2.0361 1.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1674 3.7410 -2.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7751 0.1753 1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4999 1.8768 -2.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3263 1.5269 -0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1924 -2.6131 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3291 0.8430 0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2220 -3.2859 0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7925 -1.5599 1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 15 2 0 0 0 0 3 22 1 0 0 0 0 3 80 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 14 1 0 0 0 0 7 21 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 47 1 0 0 0 0 9 11 1 0 0 0 0 9 48 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 20 1 0 0 0 0 18 27 2 0 0 0 0 19 21 1 0 0 0 0 19 28 2 0 0 0 0 20 29 2 0 0 0 0 21 30 2 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 31 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 32 1 0 0 0 0 27 72 1 0 0 0 0 28 33 1 0 0 0 0 28 73 1 0 0 0 0 29 34 1 0 0 0 0 29 74 1 0 0 0 0 30 35 1 0 0 0 0 30 75 1 0 0 0 0 31 36 2 0 0 0 0 31 37 1 0 0 0 0 32 34 2 0 0 0 0 32 76 1 0 0 0 0 33 35 2 0 0 0 0 33 77 1 0 0 0 0 34 78 1 0 0 0 0 35 79 1 0 0 0 0 36 38 1 0 0 0 0 36 81 1 0 0 0 0 37 39 2 0 0 0 0 37 82 1 0 0 0 0 38 40 2 0 0 0 0 38 83 1 0 0 0 0 39 40 1 0 0 0 0 39 84 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 85 1 0 0 0 0 43 45 2 0 0 0 0 43 86 1 0 0 0 0 44 46 2 0 0 0 0 44 87 1 0 0 0 0 45 46 1 0 0 0 0 45 88 1 0 0 0 0 46 89 1 0 0 0 0 M END > 60183756 > 1.2 > 1 56 7 8 151 76 127 16 26 79 21 134 104 41 70 52 19 95 148 34 126 75 84 92 66 149 119 80 125 114 31 89 90 48 135 103 108 23 18 102 107 68 99 105 11 54 60 77 12 93 27 97 45 55 81 120 139 140 44 36 39 78 138 38 49 133 112 106 117 73 141 46 30 69 153 131 13 4 146 72 98 20 109 122 47 43 121 136 111 150 37 59 67 144 96 14 5 62 74 132 115 32 82 51 113 83 94 57 124 53 147 64 101 142 65 85 6 3 15 86 40 25 110 2 71 137 22 63 61 24 50 128 129 123 118 29 17 100 91 88 152 143 35 87 10 33 130 145 58 42 9 116 28 > 60 1 -0.56 10 0.3 11 0.27 12 0.3 14 -0.24 15 0.71 16 -0.05 17 0.42 18 0.05 2 -0.57 20 -0.14 21 -0.15 22 0.28 24 0.41 25 0.27 26 0.26 27 -0.15 28 -0.15 29 -0.15 3 -0.68 30 -0.15 31 -0.14 32 -0.15 33 -0.15 34 -0.15 35 -0.15 36 -0.15 37 -0.15 38 -0.15 39 -0.15 4 -0.17 40 0.08 41 0.08 42 -0.15 43 -0.15 44 -0.15 45 -0.15 46 -0.15 5 -0.66 6 -0.81 7 0.05 72 0.15 73 0.15 74 0.15 75 0.15 76 0.15 77 0.15 78 0.15 79 0.15 80 0.4 81 0.15 82 0.15 83 0.15 84 0.15 85 0.15 86 0.15 87 0.15 88 0.15 89 0.15 9 0.28 > 9.2 > 12 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 6 cation 1 7 cation 5 7 14 16 19 21 rings 6 18 20 27 29 32 34 rings 6 19 21 28 30 33 35 rings 6 31 36 37 38 39 40 rings 6 41 42 43 44 45 46 rings > 46 > 3 > 0 > 0 > 0 > 0 > 1 > 1 > 039654CC00000001 > 151.3218 > 60.988 > 10169797 241 18338799047797019715 10581848 31 18187918435447657018 11578080 2 16414340347023241982 12156800 1 18410571778566961496 12166972 35 17531516573486041971 131258 38 17823674521020606242 13383661 66 16628306245753719510 13751561 76 18341045315112656899 14725015 67 18190720021761610537 15968369 153 17916853639930534985 15975801 100 17749384862575074356 17909252 39 17702667631528844878 18603816 31 14321076520987541990 19311894 1 17477220335822711967 19315092 285 17458899349583455413 20764821 26 18336839580479406089 3388396 114 16515982371064067940 392239 28 18262224565877914739 513532 50 17846495984582319826 5776283 40 18122922072856082996 86090 222 18263362659070024305 > 908.24 14.24 4.96 3.7 26.04 3.94 1.49 -5.21 2.1 1 -2.2 -7.8 -0.5 -0.88 > 1975.675 > 495.7 > 2 5 10 $$$$