11596 -OEChem-03192405493D 19 18 0 0 0 0 0 0 0999 V2000 -0.8825 0.5243 0.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -1.2419 -0.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1022 0.9340 -0.0069 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5093 0.4119 0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7304 -0.5032 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2112 -0.3828 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0242 0.2945 -0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1314 -0.0368 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5309 1.0642 0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5294 1.0823 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6943 -1.1627 -0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7238 -1.1437 0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1644 -1.0135 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 -1.0196 0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0766 0.9201 -0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1074 0.9437 0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8856 -0.3806 -0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8635 1.9199 -0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 0.6952 -0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 8 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 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 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 M END > 11596 > 0.6 > 1 35 21 26 25 36 33 20 17 3 34 12 27 4 18 14 16 9 30 23 32 2 22 7 19 11 10 29 8 13 28 15 31 6 5 24 > 7 1 -0.43 18 0.37 19 0.37 2 -0.57 3 -0.8 6 0.28 8 0.78 > 4 > 3 1 2 acceptor 1 3 donor 1 7 hydrophobe > 8 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 00002D4C00000001 > 3.2303 > 15.223 > 11062470 55 18411982451273306160 12932764 1 17385432224588209564 14325111 11 18410573989805224994 14390081 3 18342453729383693449 3248919 1 17346606257071574570 5460574 1 9295289443534689194 > 147.92 6.42 0.95 0.58 2.66 0.1 0 -0.56 0.05 -0.49 0 0.08 0 -0.01 > 266.49 > 95.4 > 2 5 10 $$$$