NCID-ZINC04962387 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 -0.0880 1.7860 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 0.4730 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -0.3690 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 0.1230 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 1.4360 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.2750 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 3.6770 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 4.1710 -1.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 4.4160 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 6.1440 -0.1350 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 6.8340 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0070 8.3490 -0.1340 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6480 8.6060 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 8.7480 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 9.0680 -1.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2070 8.6440 0.8960 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6400 8.9220 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2020 8.6520 2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3310 8.2640 3.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 9.1420 -1.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 9.7750 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 9.7330 0.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 10.5470 -2.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 11.4090 -1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 12.2770 -2.9550 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7580 12.8750 -3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 13.2330 -2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 13.0510 -3.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -1.6640 1.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 2.4190 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 0.1120 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 -0.5210 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 1.7670 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 3.9660 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 4.3710 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 6.3050 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 6.6110 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 8.3650 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1560 8.2940 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7960 9.9720 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 9.2350 -2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 11.1840 -2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 9.8190 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 10.7700 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 12.0550 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -2.0180 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -2.2750 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4420 8.8390 2.5360 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1780 13.9930 -1.6530 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5450 11.4090 -4.1060 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4720 11.9150 -4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 10.4500 -3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 11.4700 -4.9510 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 29 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 0 0 0 0 M CHG 1 48 -1 M CHG 1 49 -1 M CHG 1 50 1 M END