IBS-ZINC05346455 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -1.0230 -2.0840 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -2.0150 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -0.4430 -1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -0.6090 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -0.2490 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 1.2720 -2.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 1.6800 -3.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 3.1370 -3.9350 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 3.7420 -4.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 5.1340 -5.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 6.2550 -4.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 7.3940 -5.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 7.0390 -6.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 5.7070 -6.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 4.8980 -6.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 3.5950 -6.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 3.0170 -5.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 8.7660 -4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 9.8960 -5.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 10.9800 -4.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 10.4700 -3.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 9.1340 -3.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 6.1830 -3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 6.5300 -3.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 6.3030 -2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 5.8350 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 5.7680 -2.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -1.4440 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -1.7440 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -3.1120 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -2.3440 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -2.6620 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 0.5570 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -1.1850 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.6090 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -0.4690 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 0.1330 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -0.5860 -2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -0.7130 -3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 1.7390 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 1.6000 -2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 1.2140 -4.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 1.3520 -3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 3.6770 -3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 2.9720 -7.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 9.9480 -6.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 12.0240 -5.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 11.0420 -3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 6.9050 -4.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 6.4720 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 5.5620 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -0.6310 -1.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 52 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 52 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 17 2 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 M END