IBS-ZINC05180203 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 -0.6570 1.5360 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 0.1120 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.6080 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -1.8880 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -1.9790 -0.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -2.8010 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -0.7910 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -0.6000 -2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 0.4480 -3.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -1.7880 -3.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -1.7290 -4.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -3.0460 1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -0.1470 2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 0.6160 3.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -0.4220 3.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 0.0320 4.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -0.5820 5.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 -0.4260 6.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -1.3440 3.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 -1.2200 2.7660 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2930 -2.2350 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 -0.5720 1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -1.3480 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 -0.7830 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9250 0.5630 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5270 1.3480 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 0.7880 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -2.2740 4.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 -1.6450 4.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0940 -1.0620 2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0430 0.5340 4.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 0.7680 5.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 2.0990 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 1.6070 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 2.0220 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -1.4440 -4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -1.0310 -4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.7270 -4.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -3.6250 2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -3.7110 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -2.7130 2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -2.3980 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 -1.3910 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 1.0030 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 2.4030 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 1.4360 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6850 -2.7700 3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 -3.0450 4.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6240 -2.3890 4.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6740 -1.2010 5.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0260 -1.4930 2.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5000 -1.8170 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2950 -0.2210 1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3730 0.9530 5.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9320 0.0960 4.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3150 1.3100 3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 0.8960 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3020 -0.5480 3.7170 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.4590 -0.1040 3.3320 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 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 57 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 32 2 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 58 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 58 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 58 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END