PUBCHEM-ZINC05640366 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 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 0.1070 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.5290 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -2.6720 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.0260 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -2.8110 -0.0250 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0390 -4.0280 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -2.2400 -0.0320 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9510 -2.6130 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 -1.8930 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3880 -2.5740 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4350 -3.7910 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6350 -1.7880 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5840 -0.3900 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7490 0.3400 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9820 -0.3080 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0440 -1.6940 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8780 -2.4390 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9360 -3.7940 0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2370 -4.3880 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1270 0.4200 0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3580 -0.3070 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6930 1.8190 0.1100 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.6160 2.3870 0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7240 2.4670 0.1240 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 1.1860 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 0.0490 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -3.7520 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9930 -3.6920 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0520 -0.8140 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6300 0.1160 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0020 -2.1910 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1410 -5.4730 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7730 -4.0790 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7870 -4.0630 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4180 -0.9290 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4000 -0.9390 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1930 0.3930 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 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 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M CHG 1 26 1 M CHG 1 28 -1 M END