IFLAB-ZINC04554443 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -3.8540 -0.3430 1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -1.2940 1.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -2.2380 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -3.1790 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -4.0830 1.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -3.9020 1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -3.0240 1.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -4.9580 2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -5.9300 2.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -4.7490 3.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -5.5980 5.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -7.1030 4.7150 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5240 -7.1040 3.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 -7.8300 5.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -7.5960 7.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -8.2910 8.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -9.2120 7.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 -9.4500 6.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -8.7790 5.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 -10.3970 6.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 -10.7320 7.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 -9.9780 8.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -8.1920 5.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -8.7410 4.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 -9.8680 4.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -9.5060 2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -8.9930 3.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 0.3420 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0740 0.2340 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 -0.8440 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 -2.8050 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 -1.7000 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -3.8050 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -2.6020 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -4.8830 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -3.9180 3.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -5.1610 5.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -5.4780 5.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -6.8720 7.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 -8.1120 9.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -8.9980 4.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 -11.7990 7.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 -10.5390 7.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -7.3030 6.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -8.9630 6.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -9.0780 5.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -7.9740 4.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -10.4000 2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -8.7580 2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -9.7610 3.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -8.6600 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -7.8040 4.3100 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9210 -7.0960 3.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 52 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END