IBS-ZINC01506668 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 62 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0150 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4240 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0970 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 1.8480 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 2.9960 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5720 0.7490 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 -0.3700 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 -1.5070 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 0.7690 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5600 0.7690 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0670 0.7890 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8800 -0.2750 1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1860 0.1310 1.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9550 -0.4590 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2460 1.5040 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9210 1.9740 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6690 3.3430 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7270 4.2260 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0370 3.7570 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2980 2.4100 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4880 5.5600 0.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6270 6.4180 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1630 7.8710 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4690 8.2680 1.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0700 8.8180 3.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2560 9.0600 3.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0450 9.0780 4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0730 9.6180 5.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 9.7240 6.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6990 9.2960 5.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6560 8.7540 4.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8230 8.6420 3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1460 8.1350 2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 7.6740 1.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -1.7700 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1770 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 -0.1130 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3830 1.6670 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 1.6510 1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 -0.1290 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5530 -1.3010 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6530 3.7080 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8580 4.4560 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3180 2.0570 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2340 6.3060 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2200 6.1510 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0280 8.5170 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4840 7.9650 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0060 9.9530 5.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9180 10.1440 7.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 9.3840 6.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 8.4210 3.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 36 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 33 34 2 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 34 57 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 M END