ANALYTICONDISCOVERY-ZINC04151594 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 0 0 0 0 0999 V2000 4.0590 -1.1630 -2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -2.2510 -1.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -2.3040 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -3.4720 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -4.1150 -1.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -3.3870 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -4.0540 0.8190 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 -4.9180 1.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -2.9140 1.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -5.0040 0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -6.2560 -0.4250 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2340 -6.1950 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -7.4180 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -7.4790 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -7.5520 0.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -6.5330 -0.8600 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4330 -5.5600 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -6.4840 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 -6.8910 -1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 -7.9410 -2.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2460 -6.0450 -2.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 -6.3930 -3.1640 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7740 -6.9410 -3.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8840 -5.1140 -3.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8410 -4.3120 -4.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 -4.5180 -5.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6820 -3.7830 -6.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -2.8420 -5.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 -2.6360 -4.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0920 -3.3680 -3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3160 -7.2520 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2440 -7.5450 -1.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3500 -7.6950 -3.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -8.5360 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 -8.5240 -0.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 -9.6500 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3820 -10.8080 0.9860 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0880 -12.0570 2.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 -13.1080 2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0430 -13.0230 1.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1140 -1.3510 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -1.1080 -3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 -0.2190 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -1.5540 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 -3.6500 -3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -4.7310 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -8.3530 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -7.2670 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -8.3630 1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 -6.5830 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -5.6670 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -7.4270 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 -5.2050 -1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6920 -5.3740 -4.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 -4.5220 -2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -5.2530 -6.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 -3.9440 -7.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 -2.2680 -6.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 -1.9010 -3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 -3.2040 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4070 -7.4610 -4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0360 -8.2480 -2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -10.1770 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -9.2350 2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 -12.5230 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 -11.5810 3.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1540 -14.1380 3.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 -14.7870 2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 45 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 46 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 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 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 56 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 39 40 2 0 0 0 0 39 67 1 0 0 0 0 67 68 1 0 0 0 0 M END