IFLAB-ZINC01233946 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 -0.1050 1.4980 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 0.0210 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -0.7720 0.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -2.1150 0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -2.9430 1.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -4.3060 1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -4.8560 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -4.0200 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -2.6580 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -6.3160 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -7.0420 1.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -6.8440 -0.9180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -8.2160 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -9.1200 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -10.4740 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -10.9300 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -10.0330 -2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -8.6780 -2.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -12.6580 -1.6380 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -12.7860 -2.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -13.2460 -0.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -13.2410 -2.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -12.8190 -3.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -13.3030 -4.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 -12.8520 -5.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -11.9780 -6.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -11.5390 -5.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -11.9420 -4.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -10.6500 -6.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 -10.2420 -7.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -13.2960 -6.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -12.7840 -8.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 1.6460 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 1.7970 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 2.1020 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -0.2780 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -0.1280 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -2.5170 2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -4.9490 2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -4.4410 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -2.0110 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -6.2730 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -8.7640 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -11.1770 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -10.3920 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -7.9780 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -13.8780 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -14.0130 -4.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -11.1140 -8.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -9.7710 -7.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -9.5310 -7.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -11.6990 -8.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -13.0410 -8.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -13.2190 -8.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 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 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 31 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 M END