IFLAB-ZINC04356928 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 1.7450 1.2260 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -0.1020 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -0.7870 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -2.0250 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -2.0340 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -0.8530 -1.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -3.0690 -1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -2.8800 -2.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -1.6250 -3.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -0.5510 -3.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -1.8510 -5.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -3.1670 -5.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -3.8100 -7.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -4.2110 -4.0840 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 -0.6730 -6.0060 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6340 0.2030 -5.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -0.3600 -6.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -0.3610 -5.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -1.2880 -6.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 -1.3130 -5.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 -0.4120 -4.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 0.5210 -4.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 0.5500 -4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -0.7140 -6.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -1.2450 -6.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 1.1270 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 1.8080 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.7880 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -0.4410 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -2.8250 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -4.0830 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -1.0590 -7.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 0.6290 -7.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -2.0030 -6.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0520 -2.0390 -5.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2580 -0.4360 -3.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 1.2200 -3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 1.2770 -4.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -0.1940 -8.0650 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 14 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 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 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 M CHG 1 39 -1 M END