PUBCHEM-ZINC06403261 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4480 -2.1010 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -3.9380 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 -4.6080 -0.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 -3.8220 -2.1810 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2610 -3.2280 -1.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 -3.0790 -2.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6820 -5.0530 -3.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 -5.6070 -3.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 -6.5730 -4.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5880 -6.9840 -5.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 -6.4290 -5.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 -5.4600 -4.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0810 -8.0370 -6.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -1.9990 1.2220 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7320 -1.3140 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4290 -0.8860 2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 -1.1870 3.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 -1.9100 3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 -2.3080 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6670 -0.7390 4.7110 C 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -4.4510 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 -5.2860 -2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 -7.0070 -3.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7060 -6.7500 -6.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 -5.0240 -4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6040 -7.5590 -6.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 -8.6040 -6.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7620 -8.7110 -5.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 -1.0830 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3440 -0.3250 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3450 -2.1620 4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 -2.8750 2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3800 -1.5070 5.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -0.5760 5.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 0.1900 4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M CHG 1 20 1 M END