NCID-ZINC01731134 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.0970 1.2860 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -0.1740 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.8510 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -0.9870 1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 -1.7620 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -1.9230 1.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 -1.2700 2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -0.4910 3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -0.3330 2.7180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 0.1900 4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 1.1780 5.2420 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 -0.0330 4.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9150 -0.8230 3.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4370 -1.4340 2.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6400 -0.4810 4.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2190 -0.9360 3.9030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -0.8340 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -0.1350 -2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.7850 -3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -2.1710 -3.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -2.8990 -2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -2.2340 -1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -2.8640 -5.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -2.4610 -5.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -3.9190 -5.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -4.8670 -6.2820 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2700 -4.3730 -7.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -6.1330 -5.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -5.8730 -5.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 -7.1100 -5.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 -8.1520 -5.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -5.3500 -6.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -5.2160 -5.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 1.7470 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 1.6360 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 1.6610 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -1.8300 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -0.2630 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -2.2860 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8090 -1.5150 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 0.4210 5.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 0.9490 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -0.2050 -4.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -3.9840 -2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -2.8660 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -4.1060 -4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -6.5920 -5.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -6.8760 -6.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -5.4080 -6.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -5.1730 -5.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -6.9300 -5.7320 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8560 -5.7820 -7.6240 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 17 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 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 15 16 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 32 33 2 0 0 0 0 32 52 1 0 0 0 0 M CHG 1 51 -1 M CHG 1 52 -1 M END