IBS-ZINC04090887 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 0.4700 1.4650 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 0.0320 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -0.6300 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -1.9450 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -2.6020 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -1.9460 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -0.6240 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 0.0450 -2.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -0.0160 -3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 0.3250 -4.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.0240 -5.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 0.9960 -5.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 1.4590 -4.1690 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1630 1.3100 -4.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 0.7090 -2.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 0.7070 -2.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 2.9280 -3.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 3.7720 -3.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 5.1200 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 5.6240 -3.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 4.7800 -3.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 3.4320 -3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 7.0940 -3.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 7.2760 -1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 7.7020 -4.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 1.2670 -6.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 2.3760 -6.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 2.6410 -8.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 1.8030 -9.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 0.6980 -8.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 0.4250 -7.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -2.6640 -2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 1.4940 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 1.9720 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 1.9670 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.1190 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -2.4600 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -3.6300 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 0.6890 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -1.0240 -3.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 3.3780 -4.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 5.7790 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 5.1750 -3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 2.7720 -3.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 7.5930 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 6.8420 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 6.7760 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 8.3380 -1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 7.5720 -5.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 8.7640 -3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 7.2020 -4.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 3.0310 -6.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 3.5030 -8.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 2.0120 -10.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 0.0460 -9.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -0.4410 -6.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -2.5200 -2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -2.2620 -3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -3.7280 -2.3130 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 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 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 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 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 M END