IBS-ZINC04981533 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 0 0 1 0 0 0 0 0999 V2000 -0.5090 -1.5650 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -2.0680 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -1.2350 3.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -1.0990 4.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -0.3530 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 1.1300 2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 1.7330 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 3.1850 1.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 3.9200 2.6990 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2110 3.6150 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 5.3670 2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 5.4050 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 3.9940 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 3.6780 -0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 6.3690 0.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 6.4070 2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 6.2270 3.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 7.7820 2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 8.7210 3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 10.0300 2.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 10.4090 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 9.4790 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1690 8.1700 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 9.7160 -0.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 10.9960 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 3.6370 4.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 3.2010 5.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 2.9440 6.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 3.1270 6.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 3.5430 5.7510 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 3.8020 4.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -1.0120 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -2.4100 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -0.9090 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -2.6300 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -2.7150 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -0.5360 4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -2.2490 3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -1.7920 3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -1.3110 5.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -0.0810 4.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -0.4860 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -0.9520 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 1.6620 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 1.2780 3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 1.3290 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 1.4870 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 7.0910 3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 8.4420 3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 10.7600 3.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 11.4360 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7390 7.4530 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9900 11.0060 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 11.1840 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9070 11.7850 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6530 3.0730 4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 2.6180 7.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 2.9430 7.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 4.1490 3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -0.8980 2.2800 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0430 -0.1440 2.1720 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 35 1 0 0 0 0 2 36 1 0 0 0 0 2 60 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 60 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 60 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 31 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 60 1 M END