IBS-ZINC02126008 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.5340 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -2.0270 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.6870 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -3.7010 -1.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 -2.1660 -0.7290 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1980 -1.0800 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 -2.5320 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4390 -3.3940 0.0810 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3940 -2.7350 -1.6320 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8470 -1.7470 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 -2.7270 -1.8840 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 -3.2720 -3.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 -3.1500 -3.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 -4.0370 -3.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9820 -3.7270 -2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2180 -4.3120 -2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4710 -5.2030 -3.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 -5.5090 -4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1850 -4.9360 -4.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2060 -5.2260 -5.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -4.4030 -6.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7370 -6.3780 -5.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0510 -6.9370 -5.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 -3.4700 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 -1.2710 1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -2.4020 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -3.6240 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -2.3790 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -1.2160 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9960 -4.0780 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4460 -5.6600 -3.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 -4.7420 -7.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 -3.3680 -6.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0590 -4.4700 -7.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1220 -7.6120 -6.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7820 -6.1360 -5.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2510 -7.4900 -4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 -4.3840 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 -3.7160 2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 -2.9780 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -0.7190 1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7140 -1.5520 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9140 -0.6440 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 M END