IFLAB-ZINC04940891 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3060 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -0.7750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -1.7000 -1.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -2.9270 -1.1700 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -3.6170 -2.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -3.5700 0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 -2.0840 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 -3.1250 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4460 -2.4440 -1.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5830 -3.1640 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5360 -4.3780 -1.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8890 -2.4770 -1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0690 -3.2200 -1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2850 -2.5730 -1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3350 -1.1900 -1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1690 -0.4480 -1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9480 -1.0830 -1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 1.8580 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.8330 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -0.5310 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -1.3390 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -0.0810 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -1.5930 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -1.4440 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 -1.4780 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -3.7650 -2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 -3.7320 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4830 -1.4750 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0310 -4.2990 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1990 -3.1460 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2890 -0.6890 -1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2150 0.6310 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0380 -0.5020 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 M END