IFLAB-ZINC04249119 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.1480 -0.6620 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -2.3800 -0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -2.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -0.7220 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -0.4830 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 -1.6880 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -2.6460 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6270 -1.9130 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5020 -0.8310 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8660 -1.0420 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3690 -2.3250 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5050 -3.4100 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1330 -3.2060 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0180 -4.7050 0.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2660 -5.1840 -0.6910 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.5300 -6.5420 -0.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2500 -4.1610 -0.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6660 -5.1740 -2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0820 -6.3100 -2.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6240 -6.2560 -4.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7620 -5.0810 -4.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3230 -4.0210 -4.3630 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7750 -4.0370 -3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 -0.2400 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 0.4840 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 0.1730 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5410 -0.2020 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4370 -2.4850 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 -4.0480 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6420 -5.3240 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9860 -7.2140 -2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1630 -7.1210 -4.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4080 -5.0310 -5.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2330 -3.1500 -2.7120 H 0 0 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 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 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 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 25 39 1 0 0 0 0 M END