PUBCHEM-ZINC01855271 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 59 0 0 0 0 0 0 0 0999 V2000 0.0730 -0.0500 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 0.4270 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -1.8540 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 -2.1010 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -0.1330 -2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.2650 -2.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 1.4320 -3.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 2.7080 -3.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 3.6810 -3.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 2.7740 -4.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 4.0240 -4.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 4.1270 -4.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9210 2.9950 -4.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 1.7510 -4.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9440 1.6360 -4.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2390 3.1570 -5.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1740 2.0880 -5.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6070 2.6160 -5.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1570 2.8430 -4.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4520 3.3280 -4.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 3.5750 -5.2930 N 0 3 0 0 0 0 0 0 0 0 0 0 11.6590 3.3890 -6.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3460 2.9000 -6.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8620 2.7320 -7.8960 O 0 5 0 0 0 0 0 0 0 0 0 0 12.5730 3.7300 -7.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3700 2.6000 -2.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1590 2.8480 -1.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 0.0190 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -1.0800 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.5760 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 1.4770 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 0.3590 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -2.2780 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -2.3040 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -1.5560 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -1.8090 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 -3.1690 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.3180 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -0.8690 -3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.3540 -3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 2.0290 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 4.9270 -3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6370 5.1120 -4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 0.8470 -5.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 0.6500 -4.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6010 4.0970 -5.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0680 1.2490 -4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9510 1.6740 -6.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9660 3.5350 -3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0940 3.9310 -5.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7520 2.8490 -8.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1400 4.5290 -8.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5440 4.0820 -7.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5080 3.2720 -2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0390 1.5580 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5660 2.7220 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -0.3690 -1.3450 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0600 0.0150 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 57 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 57 1 0 0 0 0 4 35 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 38 1 0 0 0 0 5 39 1 0 0 0 0 5 57 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 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 15 2 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 21 1 M CHG 1 24 -1 M CHG 1 57 1 M END