IFLAB-ZINC04249158 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 65 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 0.0230 -0.7000 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0810 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0680 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.1690 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.9380 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -6.1020 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -7.0440 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -6.2520 1.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -4.9030 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -4.4800 2.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -5.4960 3.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -6.6490 2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -7.8960 3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -8.9120 2.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -7.9050 4.4640 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -6.7970 5.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -6.8930 6.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -5.5780 4.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -4.3930 5.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -9.1760 5.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -9.8680 5.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -11.7200 6.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -12.9660 7.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -13.9840 6.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -13.3410 6.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -12.0840 5.2180 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 0.0250 -0.1640 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6240 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6010 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1410 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -4.2940 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -5.3280 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -5.7120 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -6.6510 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -7.7590 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -7.5760 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -3.9210 5.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -4.6890 6.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -3.6880 4.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -8.9860 6.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -9.8180 4.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -10.0570 4.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -9.2260 5.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -10.9870 6.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -11.9950 5.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -13.4040 7.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -12.6890 8.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -14.2900 5.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -14.8550 7.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -14.0470 5.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -13.0700 6.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -12.3580 4.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -11.6160 4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -11.1410 5.9640 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 17 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 24 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 M END