IFLAB-ZINC04731383 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.2620 1.8470 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 0.4650 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -0.3580 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 1.5950 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 2.4130 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 2.2080 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 1.5700 -0.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 3.4630 -0.9940 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 4.1830 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0900 5.0620 -0.0890 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0620 4.4820 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4590 5.7000 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 7.0210 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 7.3860 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 6.1540 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -0.6200 -0.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 -2.0000 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -2.8000 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -2.4550 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 -3.7570 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4180 -4.2240 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2830 -3.3160 -0.4780 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1290 2.4840 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 0.0220 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -1.4300 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 3.4970 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 3.9350 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 3.4570 -1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 4.7910 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9190 5.8830 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1550 5.0910 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 7.7790 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 6.8800 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0220 7.8780 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 8.0370 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 -0.0770 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 -1.7070 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -4.5200 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 -5.4770 -0.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 2 0 0 0 0 M CHG 1 23 -1 M END