IFLAB-ZINC00143745 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 56 0 0 0 0 0 0 0 0999 V2000 0.8010 0.6810 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -0.7940 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -1.3300 1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -2.8090 1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -3.3450 2.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -3.6110 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9960 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -5.7410 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -5.0860 -1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -3.6970 -1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -2.9480 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -1.5630 -0.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -1.1030 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -7.0860 -0.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -7.8980 -1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -0.5990 2.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -0.8280 3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 -1.1380 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -2.2860 2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 0.0770 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 1.1310 4.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 2.2780 4.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 3.0780 5.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 3.2170 2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 0.8510 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 1.0580 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 1.2900 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -5.5020 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -5.6260 -2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -3.2120 -2.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -8.9360 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -7.6330 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -7.8370 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -1.2390 3.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 0.1630 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -0.3650 4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -1.7290 3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -1.4680 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -2.0180 2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6720 -2.5450 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 -3.1830 2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 0.8780 1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 -0.1940 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 0.4770 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 1.5390 4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 0.5690 5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 1.8770 3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 3.5180 5.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 3.8910 5.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 2.4370 6.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 3.6470 3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 2.7020 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 4.0450 2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 0.1300 3.1540 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4300 0.6600 2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 54 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END