IFLAB-ZINC04139389 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.1240 1.8680 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 0.3850 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -1.4940 -1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -2.0050 -2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -0.7390 -3.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -0.2040 -2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -2.6800 -5.0540 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9970 -2.0440 -5.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -4.1040 -4.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 -4.6280 -5.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -6.0040 -5.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -6.4920 -4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -5.2920 -3.9920 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -2.5530 -6.1820 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2030 -1.4910 -6.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -3.3080 -5.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -2.9160 -7.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -2.1500 -8.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -1.1160 -7.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -2.6300 -9.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -1.6810 -10.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 -2.0900 -11.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 -3.4460 -11.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -4.3960 -10.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 -3.9920 -9.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 2.4340 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 2.0720 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 2.2500 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 0.2180 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -0.2070 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -2.1800 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 -1.3650 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -1.3290 -3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 -3.0000 -2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -0.8620 -4.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -0.0570 -4.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 0.8080 -2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -0.8530 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -4.0550 -6.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 -6.6100 -5.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -7.4990 -4.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -3.0960 -4.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -3.0130 -6.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -4.3900 -6.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -3.7340 -7.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -0.6200 -10.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -1.3530 -12.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 -3.7650 -12.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -5.4530 -11.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -4.7570 -9.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -0.1370 -1.4430 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4860 0.5350 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -2.0970 -3.6790 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0410 -2.7910 -3.2980 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 29 1 0 0 0 0 2 30 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 51 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 4 53 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 53 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 51 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 53 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 51 1 M CHG 1 53 1 M END