PUBCHEM-ZINC04591069 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -2.0180 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -2.6900 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -4.0720 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -4.7940 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -4.1180 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -2.7220 1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -4.8220 2.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -4.4170 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -5.1740 2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 -4.7440 2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 -5.4580 3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 -6.6010 4.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 -7.0380 4.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -6.3360 3.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3080 -5.0020 3.3070 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.5660 -3.9970 2.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2050 -5.6310 3.8400 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8450 -6.1520 1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -2.1310 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -4.5890 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -2.1940 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -3.5260 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 -3.8530 2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4160 -7.1550 4.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 -7.9300 4.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -6.5440 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -6.7670 3.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -6.4070 4.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 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 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 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 18 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 36 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END