PUBCHEM-ZINC05916386 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1080 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5250 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -1.9220 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -2.6720 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -2.0230 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -4.0270 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -4.7240 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 -2.6040 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -3.8210 0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1990 -1.8200 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3970 -2.4460 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6360 -1.6590 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5820 -0.2600 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7490 0.4720 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9780 -0.1700 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0460 -1.5500 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8840 -2.3040 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6910 1.9510 0.1090 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.6130 2.5180 0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7210 2.6000 0.1230 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 1.1870 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 0.0570 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -2.5960 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -4.4470 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -4.4570 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -5.7980 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1530 -0.7420 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4420 -3.5250 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6280 0.2440 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8870 0.4120 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0080 -2.0420 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9500 -3.6590 0.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9630 -4.0600 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 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 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 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 35 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END