IBS-ZINC02212307 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -2.7190 1.5330 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 0.0220 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -0.5350 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5940 -0.2550 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 0.0400 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -2.0370 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -2.8210 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -4.1980 -0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -4.7950 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -4.0050 1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -2.6280 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -6.1900 0.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -6.9350 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -6.3960 -1.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -8.4390 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -9.1480 -1.9500 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -10.8630 -1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -11.3850 -0.5750 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 -12.6670 -0.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -13.0380 -1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -11.9020 -2.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -11.8170 -3.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -11.8290 -3.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -14.4550 -2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -14.8890 -3.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -14.7410 -4.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 -15.2180 -4.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -15.7530 -4.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -15.6750 -2.4560 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 1.9300 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 2.0100 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 1.7360 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -0.1810 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 -0.4540 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.3560 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 1.1270 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.2390 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -2.3560 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -4.8090 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -4.4660 2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -2.0140 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -6.6200 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -8.7930 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -8.7450 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -12.6700 -4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -10.8930 -4.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -10.9760 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 -12.7520 -2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -11.7660 -4.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -14.5080 -2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -15.1120 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -14.2840 -4.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -15.1600 -6.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 -16.1730 -4.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 M END