IFLAB-ZINC04248674 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 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 0.0230 -0.7000 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0820 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7740 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0740 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7690 -2.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -2.7560 -3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -3.5540 -4.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -4.0500 -4.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -3.5920 -2.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -3.9710 -2.0570 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -5.0880 -3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5650 -5.5540 -2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9670 -5.1690 -1.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3140 -6.3980 -3.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6140 -6.8510 -2.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2430 -7.7810 -3.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2660 -9.1430 -3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8430 -9.9960 -4.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3970 -9.4870 -5.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3750 -8.1260 -6.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8030 -7.2710 -5.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7820 -5.5610 -5.4430 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.1340 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -4.7850 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.1620 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6230 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1410 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -2.2070 -3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -3.7610 -5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 -4.5620 -4.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -5.9490 -3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9920 -6.7060 -4.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4760 -7.3780 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2640 -5.9900 -2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8330 -9.5400 -2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8600 -11.0590 -4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8470 -10.1540 -6.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8080 -7.7290 -6.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -4.5060 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -5.8650 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 -4.4810 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END