IBS-ZINC01239338 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -1.7290 0.8980 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -0.5090 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -1.3350 1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -2.6350 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -3.1080 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -2.2820 -0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -0.9850 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -4.7500 -0.1400 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -4.7690 -1.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -5.1450 1.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -5.6910 -0.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -5.5000 -1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -6.7020 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 -7.0620 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -5.8500 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 -8.0270 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8640 -7.8310 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 -6.6850 0.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3920 -9.0060 1.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2770 -8.9240 2.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8300 -10.0070 2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5890 -11.3900 1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7500 -9.8730 3.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4310 -8.6730 3.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2820 -8.5460 4.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4130 -9.6280 5.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7570 -10.7980 5.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9380 -10.8930 4.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 1.5740 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 1.2280 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 0.9740 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -0.9640 2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -3.2580 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -2.6290 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -0.3400 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 -4.5790 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -5.4200 -2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 -6.5310 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -7.6290 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -7.9890 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5110 -7.1480 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -6.0160 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 -4.9440 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 -8.9780 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 -7.9590 -1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 -9.9150 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5830 -11.7230 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3180 -12.1210 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6810 -11.3640 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3080 -7.8340 3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8260 -7.6260 5.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0640 -9.5800 6.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4170 -11.8420 4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 -6.9010 -0.3620 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3260 -6.0550 -0.2010 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 54 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 54 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 46 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END