IFLAB-ZINC04139293 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -5.0420 -8.6470 4.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -8.3860 3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -9.3470 3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -9.1180 2.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -7.9250 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 -6.9750 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1490 -7.2080 2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -7.7340 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -8.7050 -0.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -6.4410 0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -6.0760 -0.9720 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9940 -6.4480 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -4.5470 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -6.6660 -2.4270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6740 -6.2820 -3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -6.1770 -3.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -5.4350 -4.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -5.1380 -4.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7590 -5.6590 -3.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 -6.4980 -2.4800 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -8.9110 -3.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -10.4160 -3.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -10.7010 -3.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -10.1040 -2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -8.5830 -2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 -7.7110 5.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9310 -9.1510 4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -9.2760 5.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -10.2800 3.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -9.8760 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -6.0620 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9110 -6.4650 3.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -5.6810 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -4.0680 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -4.1550 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -4.2390 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -5.1150 -4.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -4.5700 -5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8380 -5.5850 -3.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -8.4900 -4.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -8.7300 -3.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -10.8450 -2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -10.9180 -4.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -10.5240 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 -10.3780 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -8.1410 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -8.1690 -3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -8.1940 -2.4540 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4290 -8.5600 -1.5970 H 0 0 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END