PUBCHEM-ZINC00597677 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7000 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.1120 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7480 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -1.9740 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6470 -1.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.6410 -2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -1.8790 -3.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -2.5050 -4.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -3.8860 -5.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -4.6480 -3.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -4.0330 -2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.8950 2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -2.5940 3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -3.3270 4.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -4.3580 4.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -4.6610 3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -3.9310 2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 -5.7670 4.0190 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7560 -6.4080 5.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -6.0350 3.1530 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0260 0.0280 2.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 0.3140 3.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 0.3760 3.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 1.0980 4.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 1.3690 4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 2.5790 6.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 3.3770 7.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 2.5540 8.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 2.0640 8.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 1.2530 7.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -3.8260 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.8000 -3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -1.9160 -5.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -4.3720 -5.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -5.7260 -3.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.6280 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -1.7890 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -3.0950 5.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -4.9290 5.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -4.1660 1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 0.1480 2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 2.0450 4.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 0.4970 5.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 0.4230 4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 1.9710 4.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3530 3.2200 5.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 1.7300 6.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 3.6900 7.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 4.2560 7.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 1.4280 9.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 2.9050 8.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 0.3830 7.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 0.9250 6.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 2.0940 6.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 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 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END