OTAVA-ZINC06143937 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 1 0 0 0 0 0999 V2000 -0.0770 1.3760 -3.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 1.2400 -1.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 2.2870 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -0.3450 -1.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -0.2710 0.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -1.1970 -1.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -0.8530 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -0.6070 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 -0.9820 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 -1.6070 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 -1.9040 -3.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -1.5300 -2.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6330 -1.9020 -3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 -3.1770 -2.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3130 -1.0140 -3.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8470 0.3570 -4.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8940 1.0190 -5.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8240 2.1620 -5.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9200 0.1130 -5.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6710 -1.1710 -4.5560 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4270 -1.2770 -3.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7580 -2.3240 -5.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7670 -3.2920 -5.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8720 -4.3540 -6.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9740 -4.4550 -7.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9710 -3.5040 -7.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.4430 -6.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1120 -5.7600 -8.4660 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.1600 0.4440 -5.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0880 1.2270 -4.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3150 1.7270 -5.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1050 3.4850 -5.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8320 4.4940 -4.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4600 3.8390 -3.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5040 3.1730 -2.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7650 2.0890 -3.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8210 0.9270 -3.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 1.2660 -3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 0.6380 -3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 2.3640 -3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 3.2750 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 2.2140 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 2.2200 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -0.1110 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1220 -0.7650 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 -2.4060 -4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -1.7520 -3.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4880 -3.2260 -4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6560 -5.0970 -6.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 -3.5780 -8.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.7110 -6.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6440 -0.4660 -6.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 1.0630 -6.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 2.0780 -4.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3800 0.5830 -4.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9980 0.9140 -5.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0140 2.2630 -6.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5660 3.9900 -6.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7980 2.7420 -6.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6130 4.9980 -5.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1460 5.2630 -4.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0480 2.7180 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 3.9090 -2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4560 1.3320 -4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9980 1.6250 -3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8170 -3.4290 -3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0810 2.7180 -4.8550 N 0 3 0 0 0 0 0 0 0 0 0 0 11.4020 3.4100 -4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 66 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 37 2 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 36 67 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END