IBS-ZINC02290610 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 65 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -0.9500 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 -1.6650 -1.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 -1.9890 -2.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4570 -1.6870 -3.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2740 -2.7020 -2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6180 -2.1030 -2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 -3.2360 -2.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8440 -3.0100 -2.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3010 -1.7510 -2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6860 -1.5010 -2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1420 -0.2190 -2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2560 0.8570 -2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9110 0.6550 -2.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4000 -0.6570 -2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0790 -0.8680 -2.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7820 -4.3850 -2.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4560 -4.0810 -2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4430 -5.0030 -2.6780 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3240 -5.7460 -2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5260 -6.2260 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0560 -8.1750 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5730 -9.6150 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8810 -9.6190 -0.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9310 -9.0580 -1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4280 -7.6130 -1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.1100 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -1.6640 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -1.5470 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 0.0070 -1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8520 -1.9050 -0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3840 -2.3240 -2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2050 -0.0330 -2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6430 1.8660 -2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2360 1.4980 -2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5190 -4.7090 -2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -5.9510 -2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 -6.4100 -3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2810 -5.7520 -3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2230 -5.5620 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5700 -6.2210 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 -8.1720 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6960 -7.5890 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6180 -10.0330 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9010 -10.2140 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9590 -9.0730 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2990 -9.6410 -2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0910 -7.0170 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4110 -7.1990 -2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0700 -7.5910 -1.2950 N 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 2 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 M END