OTAVA-ZINC06143937 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 1 0 0 0 0 0999 V2000 5.6230 -0.1180 3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3330 -0.8240 3.4940 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 -2.2900 3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 -0.2340 2.3250 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 -1.0040 2.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 1.2130 2.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -0.6610 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -1.8890 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 -2.2070 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 -1.2960 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4420 -0.0600 -1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 0.2620 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 -1.6980 -2.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 -2.8160 -3.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 -0.7460 -3.7120 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7310 -0.9900 -5.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1440 -1.0560 -5.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 -1.1700 -6.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9370 -0.9090 -4.5610 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 -0.8120 -3.3130 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4610 0.1610 -2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5840 -1.8970 -2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8710 -1.5560 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2620 -2.5340 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3730 -3.8620 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0940 -4.2200 -1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 -3.2440 -2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8690 -5.0630 0.6420 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.3880 -0.8340 -4.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8440 0.5740 -5.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3570 0.6220 -5.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2230 1.8850 -6.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6030 3.2260 -6.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4310 4.2930 -5.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0700 4.4070 -5.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6100 3.1330 -4.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 -1.0400 -5.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 -0.4010 2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 0.9660 3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0810 -0.3730 4.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9150 -2.5290 4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 -2.7750 3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0940 -2.7020 2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 -2.6020 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1040 -3.1700 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0880 0.6850 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 1.2330 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 -0.5240 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4830 -2.2530 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1800 -5.2550 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 -3.5480 -3.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8270 -1.1460 -3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7180 -1.5410 -5.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3550 0.8850 -5.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5170 1.2730 -4.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8840 0.5020 -4.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6860 -0.1590 -5.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2880 1.0750 -7.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8470 1.6620 -5.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6570 3.2100 -7.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0080 3.4290 -7.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0060 5.2540 -4.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4380 4.6350 -6.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2180 2.9250 -3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5540 3.2050 -4.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3220 0.2830 -3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7820 1.9440 -5.7820 N 0 3 0 0 0 0 0 0 0 0 0 0 12.1870 2.1070 -6.6070 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 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 66 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