IBS-ZINC04041298 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 0.4150 0.3160 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -1.0380 0.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -1.2790 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 -2.6220 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 -3.0110 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 -2.0520 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -0.7080 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -0.3240 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4530 -2.5180 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 -1.5360 -0.3540 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.7040 -2.2630 -1.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.3750 -3.2050 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6840 -2.5730 -0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5190 -1.8050 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1860 -1.7870 2.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2480 -1.0430 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8240 -0.2240 1.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7020 -3.6020 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2190 -4.9150 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9010 -7.0100 1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0820 -7.9340 1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6340 -8.4470 0.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1330 -7.3940 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0140 -6.4300 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2980 -1.3560 -2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3450 -1.7650 -3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8810 -0.8960 -4.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3540 0.3470 -4.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2690 0.6770 -2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7540 -0.1420 -1.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7100 -3.7000 0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 0.3360 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 0.9250 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 0.7320 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -3.3760 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 -4.0660 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 0.0710 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 0.7300 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5970 -3.2490 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9520 -3.7300 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4960 -5.4300 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7410 -4.7140 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5110 -6.5700 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1050 -7.5350 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7460 -8.7870 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8650 -7.4180 2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5600 -7.8530 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9420 -6.8710 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2260 -6.9440 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4100 -5.5920 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9670 -2.7340 -3.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9250 -1.1840 -5.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7750 1.0430 -4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6210 1.6380 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 -0.7100 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3630 -5.8660 0.7390 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.0760 -5.3440 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 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 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 31 2 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 55 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END