IFLAB-ZINC04032857 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.4550 1.1270 -1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -0.3000 -1.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.8820 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -0.0850 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -0.6520 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 -2.0450 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 -2.6830 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 -4.0380 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 -4.8040 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -6.0190 -0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -4.2270 -0.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -4.7840 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -2.8560 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -2.2610 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9980 -4.7260 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5140 -5.1300 -1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8090 -5.7990 -1.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4570 -6.2450 -2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9680 -6.0920 -3.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7900 -6.9330 -2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2980 -7.3310 -3.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5570 -6.9350 -4.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0230 -7.3000 -5.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2290 -8.0600 -6.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9690 -8.4550 -5.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5020 -8.0870 -4.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6320 -8.1640 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4690 -8.3660 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3240 -9.4950 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3410 -10.4210 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5050 -10.2190 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6530 -9.0920 -1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 1.4610 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 1.4670 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 1.5420 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 0.9900 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 -0.0280 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 -2.0890 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -2.8720 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8840 -5.6160 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7100 -4.0470 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6280 -4.2400 -2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -5.8090 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2010 -5.9210 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5020 -6.2540 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1770 -6.3420 -3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0070 -6.9920 -5.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5930 -8.3460 -7.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3490 -9.0490 -6.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5170 -8.3920 -4.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2370 -7.6430 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9780 -9.6520 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2270 -11.3020 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7370 -10.9420 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0020 -8.9360 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 14 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 13 2 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 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 27 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 M END