PUBCHEM-ZINC04186182 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 67 0 0 0 0 0 0 0 0999 V2000 2.2190 1.1790 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -0.2580 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -1.0250 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -2.3410 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -2.8970 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -2.1200 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -0.8030 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 0.0410 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -4.3120 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -5.1800 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -6.3780 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -6.1860 -0.6560 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -4.9810 -1.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -7.1560 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -7.8710 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 -8.8270 -1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -9.0730 -2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -8.3630 -3.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -7.4010 -2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -6.5050 -3.4000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -7.6160 1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -8.6920 0.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -7.5560 2.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -8.7820 3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -8.7580 4.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 -7.5040 5.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -6.3390 4.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -6.2640 3.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -7.5150 6.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -6.4180 7.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -6.4310 8.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -7.5360 8.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 -8.6300 7.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -8.6200 6.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -7.5480 9.6550 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6940 -6.5850 10.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 -8.5200 9.8400 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1980 1.2300 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 1.7550 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 1.5920 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -0.5930 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -2.9390 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -2.5460 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -0.0510 -3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -0.3000 -2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 1.0830 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -4.9570 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -7.6800 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -9.3830 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 -9.8220 -3.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -8.5580 -4.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -9.6540 2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -8.8210 4.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -8.8230 4.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -9.6030 5.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -6.4390 3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -5.4310 5.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -6.0660 3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -5.4710 2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -5.5550 7.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -5.5790 8.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 -9.4910 7.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -9.4730 5.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 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 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 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 43 1 0 0 0 0 7 8 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 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 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 17 18 2 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 M CHG 1 35 1 M CHG 1 37 -1 M END