IFLAB-ZINC04325797 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2060 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0150 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4240 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0970 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 1.8480 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 2.9960 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5720 0.7490 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 -0.3700 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 -1.5070 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 0.7690 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 0.7690 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 0.7530 2.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8790 0.7860 1.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3540 0.7850 2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5980 0.8000 3.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9040 0.7970 4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1760 0.8090 5.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2980 0.8020 6.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1600 0.7850 7.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9070 0.7720 6.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7730 0.7780 5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3410 0.7710 4.3400 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2680 0.7840 8.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5400 0.4190 9.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6280 1.1770 8.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5420 0.8060 7.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -1.7700 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1770 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 -0.1130 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3830 1.6670 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5030 0.7980 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0640 0.8240 4.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0260 0.7570 7.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5800 0.6900 10.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6920 -0.6550 9.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4710 2.2510 8.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6100 0.9110 8.8560 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 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 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 27 28 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 M END