62341 -OEChem-09042104473D 24 24 0 1 0 0 0 0 0999 V2000 1.8683 -0.5094 -0.3217 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4268 1.1503 1.2233 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7743 -1.2810 0.1875 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4986 -0.5161 0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -2.6247 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6636 0.3753 -1.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5238 -0.6917 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8538 1.0909 -1.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 0.0236 0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8792 0.9149 -0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0765 0.6879 0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2453 1.3801 -0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9813 -1.4830 1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5968 -2.4806 -1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0622 -3.2670 -0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6963 -3.1477 -0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 0.5159 -1.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 -1.3842 1.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9847 1.7808 -1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5127 -0.1138 1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8065 1.4708 -0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 1.5652 -1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1447 0.7702 -0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4096 2.3410 0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > 62341 > 0.6 > 2 4 9 3 8 10 11 5 1 7 6 > 16 1 -0.43 10 -0.15 11 0.66 12 0.06 17 0.15 18 0.15 19 0.15 2 -0.57 20 0.15 21 0.15 3 0.42 4 -0.14 6 -0.15 7 -0.15 8 -0.15 9 -0.15 > 3 > 2 1 2 acceptor 6 4 6 7 8 9 10 rings > 12 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 0000F38500000002 > 27.9632 > 10.148 > 1 1 18412260606272186094 10857977 72 17458356229762870081 11031198 65 18343022168315842573 12326174 3 17916028962447309350 12423570 1 13994510532996756687 12524768 44 18115590327373316591 13839132 238 17895752881398995653 14648413 74 18047187458114205605 15219456 202 18261115123346441363 15775835 57 18201435899907255212 16945 1 18267023843073485263 18380122 1 18187659006695520115 19973954 147 18192711137944596125 20379382 53 18125740997066792355 20645464 45 18040714723556112073 20645477 56 18194124238610684564 20653085 51 16558194928761959848 20871998 184 18117289257432361283 21028194 46 18408038528707735400 21501502 16 18335976498037357427 21524375 3 18337949094980466930 21947302 44 18190167993298079529 23211744 41 18186518782904024811 23235685 24 18408318908378335596 25 1 18130797767160051560 2748010 2 18335143093861210942 369184 2 16009018497614828977 5084963 1 18057883734872922684 63268167 104 17918275337669657920 81228 2 17620181474813093922 > 235.22 4.27 1.91 1.1 0.47 1.15 -0.03 -2.26 -0.26 0.92 0.39 -0.3 -0.13 0.57 > 482.7 > 135.3 > 2 5 10 $$$$