IFLAB-ZINC04166786 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8150 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5530 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.3880 2.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3600 -1.7390 2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -2.4870 3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -4.0370 2.1140 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 -4.3950 3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6200 3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -5.8440 4.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 -4.9030 5.8820 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -3.7760 5.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -3.5160 4.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 -7.0860 4.8260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 -7.5780 3.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -6.7030 2.9620 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 -7.7400 5.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6990 -9.1180 5.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 -9.7610 6.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3430 -9.0300 7.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4260 -7.6530 7.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -7.0100 6.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1100 -9.6640 8.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9780 -8.8490 9.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -3.1360 3.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -2.9010 4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -1.4930 3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -3.0340 6.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -9.6870 5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 -10.8330 6.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0990 -7.0840 8.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7200 -5.9380 6.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5310 -9.4780 10.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6780 -8.3260 8.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3870 -8.1220 9.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END