IBS-ZINC02398120 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 54 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2040 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4290 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0930 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -0.6850 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -2.0280 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 -2.2670 -0.1180 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8440 -1.1350 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 -0.1240 0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 1.1750 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0940 0.9200 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2540 -0.5850 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 -3.5920 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 -4.1090 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 -3.4370 2.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 -5.3180 1.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 -5.7940 2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 -6.9380 2.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6350 -7.2270 4.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2160 -6.2850 5.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5660 -4.9360 4.1250 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2440 -8.5020 4.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6620 -9.4470 3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2290 -10.6310 4.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3810 -10.8810 5.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9680 -9.9470 6.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4060 -8.7560 6.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9870 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 3.1730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -2.7710 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 1.9050 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 1.5250 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2370 1.1120 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7800 1.5190 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6590 -0.7270 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8950 -1.0620 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 -4.2760 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7480 -3.5200 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 -5.8550 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2720 -6.3430 6.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5430 -9.2530 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5530 -11.3640 3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8240 -11.8100 5.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0900 -10.1480 7.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0880 -8.0260 6.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 M CHG 1 9 1 M END