PUBCHEM-ZINC06855754 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 0.2500 0.9420 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -0.3700 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -1.4160 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -0.8630 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -1.0330 -0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 -1.4840 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 -1.7680 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2090 -1.5960 1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -1.1490 1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1690 -2.2250 0.2550 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 -1.8860 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6890 -1.1040 2.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3820 -2.4620 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2640 -2.1150 2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5120 -2.7780 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8670 -4.0100 1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0960 -4.2870 2.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5970 -3.2700 2.9190 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4880 -3.2370 3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6290 -2.3420 3.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7310 -1.1050 3.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2570 0.1040 3.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3560 1.2570 4.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9230 1.2180 5.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3940 0.0240 5.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3070 -1.1360 5.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9980 -0.0080 7.2550 N 0 3 0 0 0 0 0 0 0 0 0 0 -12.0800 1.0160 7.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4130 -1.0580 7.7120 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.7840 -3.3830 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1030 -4.1140 -0.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 1.2980 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 1.6870 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 0.7760 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -0.2040 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -1.5820 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -2.3510 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0990 -1.0600 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -0.8120 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 -1.6160 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 -1.8160 2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -1.0200 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 -2.7850 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0030 -1.3390 2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2280 -4.6150 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8150 0.1360 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9900 2.1920 3.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9980 2.1230 5.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6790 -2.0660 5.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 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 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 3 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END