IFLAB-ZINC04138880 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 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 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -0.6830 -1.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -1.1110 -2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -1.3540 -3.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -1.1350 -3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.7090 -2.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -1.4210 -4.9040 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -0.9740 -4.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -1.1460 -5.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -1.5320 -6.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -0.8700 -5.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 -0.9980 -6.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6940 -0.5720 -5.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2340 -0.2240 -4.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 -0.4250 -3.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 -0.1730 -2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 0.2660 -1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2850 0.4590 -1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9400 0.2200 -2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -1.8260 -4.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -2.0500 -5.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 -2.0050 -4.5090 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6630 -1.7590 -3.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8650 -1.9370 -3.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 -1.3250 -2.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -1.0790 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7870 -2.4760 -5.6680 C 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 0.5290 -0.3650 0.8850 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 -2.2940 -1.6200 -3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 0.0650 -3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2250 -0.3370 -7.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 -2.0310 -6.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1370 0.2990 -5.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4070 -1.3960 -5.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -0.3230 -2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 0.4580 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8380 0.8020 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0070 0.3700 -2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 -1.9900 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8140 -0.7760 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 -0.2860 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 -1.6200 -6.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6460 -3.0530 -5.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1510 -3.1050 -6.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 27 1 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 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 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 17 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END