IBS-ZINC02345724 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.0280 1.4390 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 0.0100 -0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -0.6260 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.0140 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -2.6630 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 -1.9230 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -0.5290 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 0.1130 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9620 -2.6160 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1710 -3.9560 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4910 -4.1680 0.1000 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.1190 -3.0220 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 -2.0280 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8580 -0.7140 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3250 -0.9450 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5180 -2.4420 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1370 -5.4810 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4350 -5.9730 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1370 -5.2930 -2.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0320 -7.1680 -1.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3970 -7.5820 -2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6040 -7.2460 -3.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9630 -7.6550 -5.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1180 -8.4020 -5.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9110 -8.7380 -4.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5490 -8.3340 -2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4720 -8.8040 -6.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6720 -9.5690 -6.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 1.8180 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 1.8020 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.7860 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -2.5850 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -3.7420 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 0.0470 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 1.1920 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4060 -4.7160 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3800 -0.0030 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8140 -0.3510 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4570 -0.7650 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0020 -0.3240 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9320 -2.5620 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1640 -2.9150 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4720 -6.1860 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0660 -5.3980 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2090 -7.7410 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7050 -6.6640 -3.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3460 -7.3940 -5.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8100 -9.3180 -4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1640 -8.6000 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5800 -10.4830 -6.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5150 -8.9840 -6.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8380 -9.8250 -7.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M CHG 1 11 1 M END