5372477 -OEChem-05092401573D 49 48 0 1 0 0 0 0 0999 V2000 -4.5398 -0.8351 0.5915 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1738 -0.0924 -1.5634 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 2.3533 0.0164 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0772 1.0148 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3362 -0.2212 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4884 -1.4782 -0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -2.7671 0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7392 2.4789 0.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2487 2.6190 0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7604 -3.9733 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9258 -2.7173 0.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4448 2.3292 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4567 1.3689 0.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7331 1.1477 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0992 2.1055 -1.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5028 0.1218 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8194 -0.2557 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8454 -1.2921 0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5127 -1.9066 1.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9212 3.1443 -0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8966 1.1016 -1.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 0.8598 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5119 -0.3612 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2508 -0.0723 0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -1.5871 -1.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3385 -1.3472 -1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8044 -2.9026 0.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7362 3.4700 1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7985 1.7521 1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3235 1.9533 1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1476 2.4940 0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 3.6471 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6248 -3.8996 -1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8589 -4.0471 -1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8505 -4.9047 -0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8211 -2.4871 0.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8281 -1.9637 1.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0873 -3.6800 1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 3.0572 -0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2228 0.6688 1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4243 1.9809 -2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 3.1422 -1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1197 1.9862 -1.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1766 -0.4992 0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7594 -2.0410 -0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4402 -0.4454 -0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9197 -2.7437 1.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5896 -1.1743 2.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5152 -2.2674 1.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 17 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 27 1 0 0 0 0 8 12 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 M END > 5372477 > 1 > 1 50 77 100 155 17 48 98 55 81 135 79 64 101 94 115 39 51 152 154 83 28 131 25 73 112 156 113 32 126 42 22 151 106 62 159 43 123 72 15 90 52 138 102 142 140 127 122 10 139 116 30 27 136 148 104 120 97 20 162 45 63 87 58 68 85 7 161 5 107 80 49 119 35 141 124 88 103 137 29 40 153 143 75 110 4 12 149 13 47 108 121 84 134 99 23 2 92 133 38 67 21 76 33 34 93 144 130 70 60 111 117 41 129 158 18 147 82 86 36 74 16 95 96 78 89 6 145 31 160 66 26 157 61 9 59 57 11 54 91 46 56 14 53 65 128 118 3 132 69 44 146 24 105 125 114 19 37 8 71 150 109 > 13 1 -0.43 12 -0.29 13 -0.15 14 -0.14 15 0.14 16 -0.14 17 0.71 18 0.28 2 -0.57 39 0.15 40 0.15 44 0.15 8 0.14 > 10 > 4 1 15 hydrophobe 1 2 acceptor 1 9 hydrophobe 3 7 10 11 hydrophobe > 19 > 0 > 1 > 2 > 0 > 0 > 1 > 1 > 0051FA3D00000001 > 26.2567 > 20.298 > 11088757 655 18044641015851542386 114674 6 18408323311136461402 12107183 9 18056494850425479425 12596602 18 16700906083807876089 13073987 5 18341618139871527473 13533116 47 18272375312653494067 13955234 65 18199465639774813592 14251731 5 18337671906312325140 14251740 57 18409452487618203347 14251751 18 18188486874431851870 14429380 30 18194121811817362910 14617045 38 18267031724269797876 14848160 33 18342170034235815292 14863182 85 18338236085201945268 14866123 147 17836931101231455017 15019793 15 18120940761545902171 15110567 62 18411142471476381866 15342168 16 9151166541428648681 15352361 1 18196085543762798654 15537594 2 18201161069323923821 17492 89 18339924792900825478 17859628 70 18412830209240471640 20567600 70 18335976481374589642 20645477 70 18335136522682755760 21033650 10 16226604070613789485 21285901 2 17895190047372969629 212916 134 14620525536341709397 21315759 227 18189325767497133694 221490 88 18338231570821753108 22224240 67 17985539199040936016 23559900 14 18262505997177094948 3014965 18 18412542120504586295 33382 64 18411142475961136625 33824 294 18341611572824300984 3421961 26 18413387627202247320 345986 75 17704079481868476433 34797466 226 16660650717100230557 44062 13 18118120264763198621 5104073 3 18272374148607100537 556388 4 18410575050736058606 613672 6 17981869862276546990 621550 34 18266169715908008700 6433294 58 18410856598564131222 7918774 8 17386869342795502203 88748 71 18338520724788545358 > 379.27 14 4.49 1.19 18.15 2.35 -0.09 12.5 3.07 -7.25 0.25 0.63 0.09 2.16 > 713.873 > 236.3 > 2 5 10 $$$$