IFLAB-ZINC03865505 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 0.2850 1.1700 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -0.3340 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -0.6810 0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -2.0100 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -2.8670 0.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -2.2870 0.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -3.6640 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -4.0570 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 -1.6250 -1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8640 -1.2750 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 -3.4240 -2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4480 -2.8850 -2.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.5010 -1.8080 -2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5320 -3.6140 -2.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7740 -2.9880 -2.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8880 -3.4130 -3.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0490 -2.6800 -3.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2610 -3.0000 -3.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3080 -4.0710 -4.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1550 -4.8170 -4.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9470 -4.4860 -4.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5730 -4.4160 -5.2050 N 0 3 0 0 0 0 0 0 0 0 0 0 -15.5700 -3.7300 -4.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.5690 -5.3720 -5.9930 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.6510 -3.0610 -0.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6080 -2.9060 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 1.4860 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 1.4970 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 1.6820 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -0.8320 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -0.6430 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -4.3640 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 -3.7250 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 -4.0710 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5590 -5.0330 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 -0.9450 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -1.5940 -2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 -1.2520 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4280 -0.2770 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 -4.5190 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 -3.0320 -3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3330 -3.5210 -4.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5680 -4.6680 -2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0100 -1.8450 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1430 -2.4080 -3.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1750 -5.6560 -5.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0740 -5.0880 -4.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1690 -3.0410 -1.3100 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.8550 -3.0630 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 9 48 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 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 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 48 1 M END