IBS-ZINC02130582 MOE2007 3D CORINA 3.40 0006 02.08.2006 77 80 0 0 1 0 0 0 0 0999 V2000 0.4550 1.8020 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 0.2610 -0.1520 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7270 -0.0870 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -1.5400 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -1.8820 1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -2.6410 2.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -1.3560 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -0.4320 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -0.1610 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -0.5700 -2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 0.0760 -2.5600 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5170 1.1570 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -0.2640 -1.6050 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9180 -1.3510 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 0.1470 -2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -0.6410 -3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -1.1060 -4.3410 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0320 -0.1240 -4.0420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3880 0.8720 -4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -0.4870 -5.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -0.9210 -6.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -1.0300 -5.9090 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0130 0.1840 -6.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 1.3220 -6.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -0.1020 -7.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 1.1110 -7.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 0.9290 -7.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8260 -0.1620 -8.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9860 2.2710 -8.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 2.1320 -8.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 3.4790 -9.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4550 4.5450 -8.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1980 3.3430 -9.7250 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0960 4.4440 -10.1230 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5270 5.3810 -10.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3080 4.5210 -9.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0150 5.3270 -7.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6050 4.6540 -6.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6860 4.1740 -11.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7800 2.9430 -11.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -2.2180 -6.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -2.5740 -3.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 2.2870 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 2.2030 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 2.1390 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 0.1850 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 0.5230 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 -2.2220 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -1.6850 2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -1.8440 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -0.7140 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 0.9000 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -1.6620 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 -0.2610 -2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 1.2200 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 -0.0060 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 0.0010 -4.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 -1.5100 -3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -1.3170 -4.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 0.3600 -5.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -1.8780 -6.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -0.1980 -7.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 -0.6740 -6.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 -0.6780 -7.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 2.8560 -8.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 2.7900 -7.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0360 1.5790 -8.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2790 1.5650 -9.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 2.4280 -10.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6480 3.5170 -8.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1600 5.0000 -9.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -2.3520 -7.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -2.6950 -2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -2.9830 -4.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 -3.2290 -4.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2810 6.5630 -8.0030 O 0 5 0 0 0 0 0 0 0 0 0 0 10.9840 5.1940 -12.2290 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 46 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 48 1 0 0 0 0 4 49 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 50 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 11 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 17 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 22 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 69 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 39 1 0 0 0 0 36 37 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 38 2 0 0 0 0 37 76 1 0 0 0 0 39 40 2 0 0 0 0 39 77 1 0 0 0 0 41 72 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 M CHG 1 76 -1 M CHG 1 77 -1 M END