IFLAB-ZINC04139398 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.2330 -1.9590 -1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.6400 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -2.0960 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 -2.7290 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -2.1020 2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -1.4680 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -2.5580 3.4910 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0650 -3.6050 3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -1.7700 4.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -2.2850 5.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 -1.3660 6.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -0.1040 6.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -0.0300 4.5940 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8760 -2.4390 3.6000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3440 -3.0480 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2880 -0.9770 3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3080 -2.9080 4.9190 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5610 -3.3740 5.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3320 -3.4060 4.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9980 -3.8470 6.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2940 -4.3300 6.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6960 -4.7690 7.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8160 -4.7320 8.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5290 -4.2540 8.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 -3.8060 7.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2610 -5.2140 10.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -1.5000 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 -1.5650 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -3.0390 -1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -2.0990 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -0.5600 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -1.0520 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -2.6330 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -3.7800 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 -2.6490 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -1.5640 2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -3.1450 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -1.5490 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -0.4180 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -3.3400 5.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -1.6480 7.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 0.7440 6.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 -0.3860 4.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -0.9070 3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 -0.5950 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -2.8820 5.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9820 -4.3610 5.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6990 -5.1440 7.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8470 -4.2270 9.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1140 -3.4290 7.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6900 -4.3820 10.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -5.6130 10.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0110 -5.9960 10.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.1710 -0.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -2.0270 2.1940 N 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 30 1 0 0 0 0 2 31 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 54 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 55 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 55 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 54 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 55 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 M END