IFLAB-ZINC04941589 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 -0.3990 1.2110 2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -0.3140 1.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -0.9210 3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -0.7910 1.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -1.9940 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 -2.4090 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -3.6980 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6970 -4.0960 -0.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 -5.2090 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 -5.8830 -1.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4260 -5.6140 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3120 -4.9400 -0.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7290 -6.7280 -1.7980 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0510 -7.1500 -1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1680 -6.3500 -1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2820 -7.1620 -1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8700 -8.4120 -2.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4740 -8.4270 -2.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6570 -9.5590 -2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0130 -10.7460 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2050 -11.8600 -1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 -11.7930 -2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 -10.6120 -3.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4940 -9.4970 -2.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6250 -6.4470 -1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1870 -4.6930 -2.2180 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.4540 -4.8660 -1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 1.5740 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 1.6440 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 1.5020 2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -0.6050 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -2.0080 3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -0.5580 3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -0.6310 4.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -1.8260 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -2.7850 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -2.5780 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 -1.6180 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -3.5300 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -4.4890 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4050 -3.5570 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 -7.2350 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9190 -10.7990 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4810 -12.7840 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 -12.6650 -2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 -10.5630 -3.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2170 -8.5760 -3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2860 -6.8180 -2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0860 -6.5640 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3660 -4.5810 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7840 -4.2680 -2.2660 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 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 11 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 42 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M END