IFLAB-ZINC04062501 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 2.4160 -1.8820 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -1.5470 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -1.1240 1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -0.9610 1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -0.5310 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 -0.4920 2.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 -0.8680 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -1.2780 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -1.3070 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -1.6240 -0.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -1.9850 -1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -0.8840 2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 -0.4190 2.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.1950 4.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -1.9420 4.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -0.5750 5.3230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -0.7750 6.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -0.5480 7.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -1.2250 6.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 -2.3730 6.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 -3.5410 7.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -4.0030 7.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -2.9420 7.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -2.7350 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 -1.0230 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 -2.1560 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -0.2200 3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 -0.1620 2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 -0.8330 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -1.5570 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -3.0750 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -1.5410 -2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -1.5990 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 0.0300 4.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -1.7800 6.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -0.0610 7.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -0.4980 8.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 0.3850 6.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -0.3520 6.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -0.9530 7.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 -2.0840 6.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -2.6160 5.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -4.9040 7.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -4.2870 6.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -2.6880 8.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -3.2750 7.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -1.6640 6.8910 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6240 -1.9000 5.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 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 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END