PUBCHEM-ZINC04676051 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 59 0 0 1 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 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.5340 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -4.0410 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -4.6590 0.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -4.7010 -1.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -6.1660 -1.0620 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2060 -6.5340 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -6.6910 -1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 -6.3070 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -6.7210 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -7.0220 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -6.6480 -1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -5.8500 -2.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 -7.9640 -2.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -8.3560 -2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 -9.8600 -2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 -10.5540 -3.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 -11.9330 -3.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 -12.6180 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5190 -11.9250 -2.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 -10.5450 -1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9430 -14.0950 -3.0580 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3630 -14.7070 -3.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 -14.6990 -2.2220 O 0 5 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 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 1.2900 -2.4020 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -2.1570 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -2.3790 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -4.2070 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -6.2530 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -7.7760 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -5.2290 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -7.7990 -1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -6.4480 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -6.2120 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -6.7270 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -6.7480 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -8.1000 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -7.9620 -3.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 -7.9560 -2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 -10.0180 -4.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 -12.4750 -4.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 -12.4600 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 -10.0030 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 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 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 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 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 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 20 21 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END