IFLAB-ZINC01795134 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 0 0 0 0 0 0999 V2000 -2.7320 1.1850 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 0.0040 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -0.1280 -1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -0.4660 -2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -2.2490 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 -3.0320 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -2.9410 -1.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5550 -3.7510 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 -4.4240 -0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2820 -3.6600 -2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6240 -4.8920 -2.4390 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.1750 -4.5950 -4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4450 -5.1760 -5.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8530 -5.0220 -6.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0020 -4.2930 -6.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7530 -3.7160 -5.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3300 -3.8730 -4.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1290 -3.2390 -3.4260 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.2740 -3.6760 -3.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6170 -2.2830 -2.8260 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8710 1.7170 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 1.9010 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 0.8550 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 0.3090 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 -0.6700 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -0.4730 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 0.9560 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -0.1240 -3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 0.0300 -3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -1.5410 -2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -2.3020 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -2.6370 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -4.0810 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -2.6320 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7000 -2.6550 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5630 -3.8520 -3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 -5.7720 -4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2780 -5.4840 -7.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3140 -4.1830 -7.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6530 -3.1550 -6.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.7750 -0.3610 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5650 -0.7660 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 41 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 41 1 M END