PUBCHEM-ZINC02461562 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 0.6890 1.8740 -1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 1.1380 -2.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 0.4720 -2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 0.5420 -1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 1.2860 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 1.9470 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -0.1700 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 -0.9040 -2.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 -0.0040 -0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4100 -0.5780 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5530 0.2170 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4410 1.6000 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 2.5640 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9850 3.7980 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5790 3.6230 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 2.3100 -0.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 4.6700 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2490 4.3770 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 5.3940 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 6.7120 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1170 7.0120 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 6.0110 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 7.8050 -0.2220 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4810 7.5260 -0.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 9.0580 -0.3080 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5430 -2.0560 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6430 -2.5700 -0.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4430 -2.8230 -0.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 -4.2830 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 -4.9100 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 -4.5690 -1.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 2.3970 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 1.0840 -3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -0.1030 -3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 1.3440 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 2.5240 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 0.5270 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5200 -0.2460 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6050 2.3360 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5100 4.7420 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 3.3520 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 5.1720 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 8.0410 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0990 6.2470 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 -2.4090 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1990 -4.5910 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 -4.6150 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 -5.9940 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 -4.5320 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 -4.9340 -2.0820 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 32 1 0 0 0 0 2 3 2 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 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END