IFLAB-ZINC00958835 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.0110 1.5180 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.0120 -0.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5280 -0.3700 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -0.5210 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -2.0260 1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -2.7010 0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -2.0330 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 -3.1140 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -4.5090 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -4.1190 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -5.1050 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -4.8210 1.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -6.3750 1.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -6.6800 1.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -5.7970 0.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -7.4510 1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -7.6050 3.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -6.8880 3.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -8.5410 4.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -8.6210 5.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -8.3460 6.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -8.4250 7.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -8.7810 8.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 -9.0560 7.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -8.9820 6.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -8.8580 9.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -9.2300 10.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -0.5370 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 1.8910 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.8790 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 1.8750 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -0.0090 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -0.3260 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -2.2100 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -2.4250 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -8.3840 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -7.2050 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -9.1590 3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -8.0680 5.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -8.2110 7.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 -9.3320 8.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -9.2010 5.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -9.2540 11.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 -10.2170 9.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -8.5020 10.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -0.0440 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -0.3360 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 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 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 M END