IFLAB-ZINC04263059 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 -4.2450 0.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -4.7680 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 -6.2740 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 -6.9290 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7880 -6.8920 0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8530 -8.2800 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 -8.9720 0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8270 -10.2860 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 -10.7260 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -9.3240 -0.0120 S 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 -2.1110 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -2.1010 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0070 -4.3860 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -4.3760 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6040 -6.3680 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6770 -10.9520 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2560 -11.7600 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 21 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 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 M END