IFLAB-ZINC04275692 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -0.6330 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 0.0160 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.0960 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -2.9430 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -4.2350 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -4.4850 -0.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -2.8110 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -2.2490 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7740 -3.0420 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 -4.2530 0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 -2.4490 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2350 -1.1140 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4440 -0.5140 0.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5720 -1.3210 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4440 -2.6690 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2020 -3.2650 0.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -2.5600 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -5.0280 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -1.2840 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 -0.5030 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4930 -0.8240 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5830 -1.4810 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4540 -2.5110 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2710 -3.3200 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 M END