20112 -OEChem-03192402093D 17 16 0 1 0 0 0 0 0999 V2000 -1.3210 -1.1629 -0.5755 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -1.1603 0.4304 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2559 -0.0309 0.2904 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0192 0.8027 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5352 0.7787 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2769 0.0146 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5377 0.7580 -0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1828 -0.4043 1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 1.6702 0.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0825 1.1528 -1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4105 0.1673 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5347 1.6596 0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6602 1.1057 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 1.6247 0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4028 0.1017 -0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 1.0776 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1022 -1.6828 -0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 17 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END > 20112 > 0.4 > 2 16 12 7 1 6 14 10 15 13 5 11 8 9 4 3 > 7 1 -0.68 17 0.4 2 -0.57 3 0.28 4 0.06 6 0.45 7 0.06 > 2 > 3 1 1 acceptor 1 1 donor 1 2 acceptor > 7 > 0 > 1 > 0 > 0 > 0 > 1 > 3 > 00004E9000000002 > 5.3448 > 15.226 > 12932741 1 16558743559315307232 14390081 3 18342457066626296320 16714656 1 18343871017093944405 18185500 45 18410852187373631746 20096714 4 18410295813031049368 21040471 1 18343299236750936065 23552423 10 18335421235948795326 24536 1 17458343060913138121 29004967 10 17385731282950202464 5460574 1 9799691489224514953 > 132.32 3.48 1.16 0.67 0.03 0.2 0.01 -0.84 0.11 -0.01 0.04 -0.02 0.04 -0.27 > 238.23 > 85.8 > 2 5 10 $$$$