PUBCHEM-ZINC03047151 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.8270 1.3390 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -0.0790 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -0.7330 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -2.0660 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -2.7740 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -2.1240 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -0.7910 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -2.9400 -2.0500 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -4.1400 0.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -4.9490 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -4.3420 3.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -6.3480 1.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -7.3450 2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -7.7190 2.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -8.5010 4.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -9.7250 4.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -6.9580 -0.2340 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1280 -7.9880 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -7.0760 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -6.3150 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -6.2680 -1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -5.4850 -2.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -5.1090 -2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -5.6090 -2.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 1.8580 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 1.3580 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 1.8970 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -0.2120 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -2.5320 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -0.3070 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -4.5650 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -8.2380 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -6.9690 3.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -6.8260 2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -8.4040 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 -9.1470 4.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -7.4960 4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 -8.9230 5.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -9.5730 3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -10.3880 3.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -10.1260 5.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -7.6490 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -7.5940 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -6.1080 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 -6.7340 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -5.2260 -2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -4.5170 -3.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -8.3910 4.0870 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5070 -7.7680 4.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 48 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 48 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END