IFLAB-ZINC00129845 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.1900 1.5580 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 0.1410 0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -0.5700 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 0.0100 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -0.7920 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -2.1860 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -2.7710 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -1.9740 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -2.4640 0.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -3.8750 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 -3.0370 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0710 -3.1690 -2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3400 -3.8240 -2.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5500 -3.1830 -2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6410 -1.9880 -2.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7730 -4.1070 -2.4680 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.6460 -4.9280 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0380 -3.3260 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3080 -4.1490 -2.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4480 -4.6490 -3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2300 -5.4630 -4.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9050 -4.6990 -3.8930 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.8640 -3.8750 -4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8070 -5.7110 -4.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9180 -5.9340 -3.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 1.9560 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 1.9010 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 1.9470 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 1.0850 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 -0.3230 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -3.8540 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -4.0860 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -4.2970 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -4.3480 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 -4.0330 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5990 -2.5950 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 -2.1860 -2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 -3.7610 -2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3730 -4.8320 -2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9540 -2.9950 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1250 -2.4150 -2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2890 -4.9990 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1790 -3.5390 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3500 -5.2640 -3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5730 -3.7980 -4.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2030 -6.3930 -3.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3640 -5.7630 -5.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8940 -6.1690 -5.4790 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 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 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 M CHG 1 48 -1 M END