IFLAB-ZINC02700777 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0010 1.2470 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -0.1420 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -0.8050 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -0.0320 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 1.3630 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0090 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 1.8340 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 3.1200 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 3.2520 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5640 2.1260 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0120 0.8420 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6120 0.7180 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -0.3980 -0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -1.7760 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -2.2840 -1.5900 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4930 -2.0350 -2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 -3.8070 -1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 -5.7650 -3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5190 -6.1120 -4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2440 -5.2030 -4.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 -1.6640 -2.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2440 -0.7680 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 1.7440 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -0.7200 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -1.8890 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 3.0920 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 4.0050 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1980 4.2430 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6450 2.2420 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6580 -0.0290 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 -1.8150 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -2.3850 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 -4.0340 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 -4.2980 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 -6.3320 -2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 -6.0530 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 -4.3140 -2.9680 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 -3.8610 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2530 -7.2700 -4.8230 O 0 5 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 21 22 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 39 -1 M END