IBS-ZINC02250704 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 -0.3440 1.2300 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.1200 0.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -0.3580 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 0.4700 -1.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.8280 -1.1560 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2210 -2.1740 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -2.6170 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -4.1010 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -4.6550 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -6.0240 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -6.8380 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -6.3090 -1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -4.9410 -2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -8.1690 -0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -8.5720 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -1.9010 -2.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -2.7000 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -3.4030 -1.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -2.6160 -3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5630 -3.4950 -3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 -3.4260 -5.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 -2.7690 -6.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4120 -4.1860 -5.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 -4.3670 -6.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1550 -3.7860 -7.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0950 -4.0170 -8.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1980 -4.8290 -8.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3730 -5.4210 -7.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4300 -5.1860 -6.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4000 -5.1420 -9.5920 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9220 -6.4590 -9.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5690 -5.1170 -10.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4610 -3.9620 -9.4900 N 0 5 0 0 0 0 0 0 0 0 0 0 11.9230 -4.0780 -8.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 1.9120 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 1.5010 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 1.3070 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -2.2510 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -2.4430 -2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -4.0240 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -6.4510 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -6.9380 -2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.5310 -3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -1.3110 -3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -2.9190 -4.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 -1.5690 -3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2810 -3.1870 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 -4.5410 -3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6450 -4.6710 -4.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3090 -3.1490 -7.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9640 -3.5640 -9.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2320 -6.0570 -6.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5830 -5.6530 -5.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 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 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 M CHG 1 33 -1 M END