IBS-ZINC04785718 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 71 0 0 1 0 0 0 0 0999 V2000 1.8830 1.2480 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -0.2260 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -1.0890 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -0.5760 -2.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -2.4310 -0.8090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -3.2660 -1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -3.4930 -1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 -4.3360 -3.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5810 -5.6970 -3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 -6.4390 -1.8840 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8380 -5.8590 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 -5.3240 -2.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 -4.5490 -3.2560 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0570 -5.1160 -4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 -3.1920 -3.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 -7.4470 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 -7.8080 -1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 -3.6250 -4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -4.2840 -5.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 -3.6320 -6.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 -2.3200 -6.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 -1.6600 -5.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -2.3110 -4.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -3.0550 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -3.4640 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -4.6780 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -5.0560 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -4.2160 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -2.9990 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -2.6280 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6820 -4.5850 0.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 -3.6710 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 1.4460 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 1.4760 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 1.8720 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -0.4540 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -0.4250 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -4.2260 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 -2.7650 -2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 -2.5320 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2190 -4.0150 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 -5.5500 -3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -6.2820 -4.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3050 -5.4900 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 -4.7500 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1310 -2.5730 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5730 -3.3380 -3.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 -2.6970 -4.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5550 -8.4270 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7940 -6.9650 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1110 -7.5640 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -8.3870 -2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -8.3360 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -7.6750 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -5.3090 -5.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 -4.1470 -7.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 -1.8100 -7.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 -0.6350 -6.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 -1.7940 -3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -3.9350 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -2.3430 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -5.3310 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -6.0040 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -2.3440 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -1.6830 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3370 -3.5060 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5770 -2.7240 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6130 -4.0870 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 -6.6180 -1.9710 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 69 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 12 69 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 16 69 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 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 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 21 22 2 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 24 25 1 0 0 0 0 24 60 1 0 0 0 0 24 61 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 62 1 0 0 0 0 27 28 1 0 0 0 0 27 63 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 M END