IFLAB-ZINC05258136 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.7960 1.7710 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 0.3030 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.2080 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -1.5690 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -2.4470 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -1.9390 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -0.5730 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -0.0800 -2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -3.8330 0.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -4.5480 1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -4.1260 2.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -6.0310 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -6.6750 2.7180 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3510 -6.3430 3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -8.2050 2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -8.6770 3.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -6.4360 5.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -6.5170 6.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -6.8050 7.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 2.2300 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 1.9250 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 2.2980 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 0.4520 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -1.9040 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -2.6090 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 0.6670 -2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -0.8940 -3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 0.3580 -3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -4.3480 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -6.5020 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -6.1810 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -5.5680 5.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -7.3500 5.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 -5.5780 6.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -7.3110 5.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -7.7430 7.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -5.9880 7.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -8.7410 1.8560 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6280 -6.2980 3.8310 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0250 -5.3520 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -7.0410 3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -6.9520 8.5260 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5700 -7.1710 9.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -7.7130 8.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -6.0910 8.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 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 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 42 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 38 -1 M CHG 1 39 1 M CHG 1 42 1 M END