IFLAB-ZINC05144836 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -1.9760 1.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -2.6900 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 -2.8240 1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 -3.5700 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -2.8240 2.0630 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -4.1010 2.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -1.9540 3.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -3.0970 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -4.2340 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -4.4540 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 -3.5260 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8170 -2.3810 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -2.1760 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 -3.7550 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -4.7530 -2.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9740 -2.8570 -1.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0300 -3.0720 -2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0950 -2.2240 -2.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0490 -2.6980 -3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7030 -3.8540 -4.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1770 -4.4220 -3.6980 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.5090 -4.5800 -5.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3090 -1.9520 -4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2480 -1.0010 -2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3700 -0.0300 -1.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -3.6820 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -2.1340 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -1.8320 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 -3.3800 2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7780 -4.5620 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3890 -3.0140 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0290 -3.6660 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -4.9510 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -5.3420 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 -1.6590 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -1.2920 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9560 -2.0610 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1960 -4.2530 -6.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3460 -5.6540 -5.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5670 -4.3590 -5.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1050 -1.2700 -4.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0790 -2.6640 -4.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6540 -1.3840 -3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 8 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 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 48 1 0 0 0 0 25 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 27 28 3 0 0 0 0 M END