PUBCHEM-ZINC04186347 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 65 0 0 0 0 0 0 0 0999 V2000 -0.2630 1.3680 -1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 0.1090 -1.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -0.5460 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -1.7750 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -2.4430 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7450 -1.8830 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 -0.6500 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 0.0160 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 -2.6000 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3050 -2.1560 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1720 -3.1460 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4000 -4.1100 0.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1630 -3.7680 0.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8860 -5.2930 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2220 -6.4930 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7030 -7.6590 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8460 -7.6330 1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5100 -6.4390 2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0300 -5.2690 1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3600 -8.8840 2.5690 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.7760 -9.9360 2.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3670 -8.8620 3.2550 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.6350 -3.1610 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2340 -4.2190 -0.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3120 -2.0020 -0.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7750 -1.9940 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3650 -1.0300 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7200 0.2830 0.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2820 0.2020 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6070 -0.7110 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3440 1.2340 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3910 1.0490 2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0080 1.9900 3.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5790 3.1160 2.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5350 3.3040 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9140 2.3690 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8650 2.5560 -0.9300 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 1.7840 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 1.2290 -2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 2.0540 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -2.2080 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 -3.3990 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -0.2140 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 0.9740 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5580 -1.2380 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3290 -6.5150 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1870 -8.5930 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4030 -6.4220 2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5470 -4.3370 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0380 -1.6600 -1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1660 -2.9970 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4370 -0.9270 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1900 -1.4200 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8440 1.1990 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1360 -0.2050 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5660 -0.8660 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6580 -0.2510 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9460 0.1700 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0450 1.8460 4.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0610 3.8490 3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9820 4.1840 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 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 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 49 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 30 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 35 2 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 35 61 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END