PUBCHEM-ZINC04687597 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 0 0 0 0 0 0999 V2000 -0.0030 1.3520 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -0.0280 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -0.6800 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 0.0510 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 1.4370 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 2.0890 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 3.4840 -0.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 3.9990 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 4.9710 1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 5.3880 0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 4.0740 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -0.6090 -0.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 0.1580 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 -0.7330 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 -1.9340 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 -1.4430 -2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 -0.6420 -2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4480 0.5600 -1.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3210 0.0690 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2520 1.4510 -2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 0.6490 -2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9860 -0.5520 -3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -2.1590 0.0600 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3640 -2.8140 -0.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -2.7210 0.5140 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9360 1.8580 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -0.5990 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 2.0080 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 4.5270 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 3.1740 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 5.8380 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 4.4650 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 6.1870 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 5.6820 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 3.4030 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 4.2890 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 -1.5750 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8120 1.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -1.0820 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9070 -2.5690 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 -2.5050 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2010 -2.2990 -3.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3270 -1.2770 -2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 -0.2920 -3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3690 1.1310 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3010 0.9250 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1730 -0.5660 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 2.3070 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3420 1.8000 -3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 1.2840 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0760 -0.2020 -4.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 -1.1230 -2.9540 H 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 19 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 22 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END