IBS-ZINC02153129 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 72 0 0 1 0 0 0 0 0999 V2000 0.8820 1.9070 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 0.6210 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 0.4690 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -0.6790 1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 -1.6910 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 -1.5570 -0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -0.4160 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -0.3570 -2.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -0.4590 -3.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 0.5570 -4.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 0.6780 -3.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.3300 -2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 1.3260 -6.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 0.7880 -6.9980 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7530 0.7340 -6.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 1.4780 -8.3060 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2710 1.2380 -8.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 0.7300 -9.3020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7010 1.0170 -9.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 1.0060 -10.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 2.5020 -10.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 2.9370 -12.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 4.3730 -12.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 5.3260 -11.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 4.9320 -10.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2260 4.9340 -9.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 3.4710 -9.9260 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0130 2.9790 -8.4680 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0430 3.2170 -8.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 3.6110 -7.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 3.5060 -7.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 3.4430 -10.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 6.0400 -9.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -0.6210 -8.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -0.5950 -7.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -1.5310 -6.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 2.2440 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 1.7810 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 2.7110 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 1.2570 1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 -0.7780 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 -2.5890 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -2.3720 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 -0.2750 -3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -1.4760 -3.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 1.5870 -4.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 0.3640 -5.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 0.5630 -4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 1.7090 -3.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -1.3340 -3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -0.0950 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 1.3190 -6.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 2.3410 -5.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 0.4190 -11.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 0.6660 -10.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 2.2200 -12.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 4.6340 -12.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 4.5010 -13.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 6.3430 -11.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 5.3460 -12.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 2.4420 -10.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 4.1070 -9.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 3.7500 -11.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 6.1630 -9.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 5.8590 -8.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 7.0010 -9.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 0.4370 -5.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5020 -0.5530 -5.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 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 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 5 6 2 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 10 67 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 11 67 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 13 67 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END