IFLAB-ZINC04139431 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.9390 -1.9240 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -2.3630 -2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.5740 -3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -0.1350 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.4940 -4.7920 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6340 -2.0290 -4.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -3.9920 -4.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 -4.6700 -5.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -6.0430 -4.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -6.4800 -4.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -5.1120 -4.1230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -2.1200 -6.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7900 -1.0350 -6.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -2.6680 -5.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -2.6950 -7.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -2.1290 -8.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -1.1410 -8.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 -2.7090 -9.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -2.1250 -10.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -2.6720 -12.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 -3.7960 -11.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 -4.3800 -10.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -3.8390 -9.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -4.3770 -13.0990 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4950 -3.8660 -14.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 -5.3670 -13.0020 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -2.4560 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -2.1520 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -1.8520 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -3.4410 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -0.3470 -4.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -0.0420 -3.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 0.9420 -2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -0.6460 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -4.1850 -5.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 -6.7100 -5.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -7.5140 -4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -2.2400 -4.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -2.4010 -6.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -3.7530 -5.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -3.4830 -7.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -1.2480 -10.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 -2.2210 -12.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -5.2570 -10.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -4.2930 -8.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4780 -1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -2.0210 -3.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 53 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 54 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 6 53 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 54 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 42 1 0 0 0 0 11 12 2 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 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 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 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 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END