IFLAB-ZINC02458722 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 0.8790 -0.6050 1.4720 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -0.2900 1.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -0.3250 2.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -2.2550 1.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -2.9660 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -2.9660 1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -2.3590 2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -3.0950 2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -4.3560 2.9900 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -4.9750 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -4.3040 2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -6.3940 3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -6.9660 3.0540 O 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 2.6850 -3.2300 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -3.8730 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.3240 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -1.3250 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 -2.6290 2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -4.8100 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -7.0520 3.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -7.9770 3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 27 28 1 0 0 0 0 M END