IBS-ZINC04311635 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.9350 2.0530 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 0.2980 0.0630 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -0.2890 -1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 -1.7970 -1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 -2.3280 -3.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0230 -1.7790 -3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -3.8030 -3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 -4.2970 -4.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -2.0240 -4.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -1.0570 -5.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 -0.3370 -5.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -0.9560 -5.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -0.1060 -7.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 0.0840 -8.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 1.2910 -8.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 1.5010 -9.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 0.5180 -10.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -0.6900 -9.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -0.9040 -8.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 0.8610 -10.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 -0.0560 -12.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 0.5450 -12.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7840 0.7590 -14.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -2.0250 -5.5600 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -2.6460 -4.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -3.7940 -3.1620 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 2.4750 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 2.1900 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 2.5900 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -0.0420 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 0.2410 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -2.0210 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -2.3230 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 0.5350 -7.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 2.0760 -7.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 2.4440 -9.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 -1.4860 -10.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -1.8470 -8.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -0.2340 -12.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 -1.0030 -11.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8620 0.8170 -12.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 0.5070 -14.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5910 1.1990 -14.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 -4.3300 -1.9720 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 44 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 44 -1 M END