PUBCHEM-ZINC05459313 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.6090 1.7700 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 0.2590 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -0.4030 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 0.2650 0.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -1.7360 0.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -2.3050 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -3.8230 0.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4090 -4.0580 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 -4.4100 -0.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8570 -3.9920 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 -5.9080 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -6.4870 -1.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 -7.8610 -1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1610 -8.6560 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -8.0760 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -6.7020 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 -10.1270 -0.7370 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9550 -10.6370 -1.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -10.8270 0.2600 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.3260 -4.0850 0.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 -4.4000 1.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 -4.6950 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -4.5200 1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -4.2340 0.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -5.0100 2.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -4.9230 2.6570 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -3.9770 4.0580 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 2.2490 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 2.1610 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 1.9770 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 0.0520 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -0.1320 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7630 -2.0700 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -1.8850 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -5.8660 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -8.3140 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3010 -8.6970 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4620 -6.2490 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9890 -4.3510 1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -6.0430 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 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 17 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 40 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END