PUBCHEM-ZINC05140711 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.7430 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -1.0200 1.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -1.8920 0.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6950 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 0.0090 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.6700 -3.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -2.0680 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.7720 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.0860 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.7970 -4.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -4.1400 -4.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -4.8700 -6.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -6.2680 -6.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -6.9440 -7.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -6.2420 -8.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -4.8580 -8.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -4.1690 -7.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -6.9750 -9.8770 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0210 -8.1930 -9.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -6.3610 -10.9290 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -1.6880 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -0.1510 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -1.4910 2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -0.0820 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -2.1110 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 1.0890 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.1230 -4.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -3.8510 -2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.6280 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -2.2520 -5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -4.6850 -3.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -6.8160 -5.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -8.0240 -7.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -4.3170 -9.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -3.0890 -7.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 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 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 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 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END