IFLAB-ZINC04315068 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.3320 1.7390 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 0.2770 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -0.2350 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -1.5920 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -2.4680 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -1.9560 -1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -0.5860 -1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -2.8180 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -3.8510 0.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -4.5360 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -4.0970 2.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -6.0240 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -8.0750 2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -8.5700 4.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -8.3500 4.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -6.8760 4.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -6.3890 3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 -8.8730 6.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -8.3630 7.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -7.5930 7.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -9.0790 8.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -8.9910 9.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -9.9100 10.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -10.8660 10.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -10.9320 8.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -10.0190 8.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -9.8770 6.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 2.2750 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 1.9020 -1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 2.1650 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 0.4200 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -1.9280 1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -0.1840 -2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -3.6090 -2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -2.2400 -3.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -3.2620 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -4.3810 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -6.5250 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -6.2050 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -8.6380 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -8.1430 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -8.0500 4.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -9.6360 4.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -8.9300 4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -6.2540 5.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 -6.7350 5.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -5.3140 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -6.9240 2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -8.2500 9.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -9.8790 11.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -11.5660 11.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -11.6720 8.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -6.6290 2.6830 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0660 -6.0740 3.2200 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 9 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 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END