OTAVA-ZINC05374745 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -1.1320 2.0180 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 0.5020 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 0.2020 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -0.2890 0.0890 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5390 0.0140 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -0.0110 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -0.8450 -1.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -1.7440 0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -2.4760 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -1.9880 2.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -3.9470 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -4.6560 1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -6.0470 1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -6.7550 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -6.0430 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -4.6490 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -8.2200 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -9.0640 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -8.7660 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -7.6340 -1.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -9.9430 -2.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -11.1310 -1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -12.6880 -2.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -10.7810 0.1410 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -9.8780 -3.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 2.5600 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 2.3150 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 2.3580 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 0.2120 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 0.4100 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.8420 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.8160 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -2.1620 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -4.1330 2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -6.5720 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -6.5650 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 -4.1460 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -8.6350 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 -10.3630 -3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -10.4170 -4.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -8.8470 -3.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 0.9650 -0.7660 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 42 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 42 -1 M END