IBS-ZINC04814046 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.7430 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8240 -1.4370 S 0 0 3 0 0 0 0 0 0 0 0 0 0.7230 -2.1200 -1.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -2.9460 -2.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -4.1790 -2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -5.0180 -3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -4.6710 -4.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -3.4660 -4.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -2.6090 -3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -5.6100 -5.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -6.4890 -5.6450 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -4.8720 -6.8090 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -6.3400 -5.4930 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -1.0770 -1.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 0.1460 -2.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 0.0200 -2.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.7820 -3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 1.6680 -4.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 1.7920 -4.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 1.0280 -3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 2.4830 -5.6310 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9480 2.3740 -5.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 3.2640 -6.3090 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.0400 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -1.3820 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -1.3580 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -4.4520 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -5.9570 -3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -3.2110 -5.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -1.6760 -3.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 -0.6720 -2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 0.6840 -3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 2.4850 -5.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 1.1230 -3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 16 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 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 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 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 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END