PUBCHEM-ZINC03871190 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 1 0 0 0 0 0999 V2000 0.1470 1.0900 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -0.2680 -0.5170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -0.9400 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -0.7230 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 0.2280 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 0.0650 0.7970 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 1.2130 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 2.2930 0.3920 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2510 1.6180 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 2.0340 -0.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 3.6970 0.2690 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7840 4.2330 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 4.1180 -1.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2610 5.1720 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9650 4.1460 -0.4530 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6290 4.8110 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 4.6050 0.9900 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6770 5.6960 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 4.0840 1.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8790 4.1500 1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6560 4.7410 3.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9390 5.4760 3.9250 P 0 0 0 0 0 0 0 0 0 0 0 0 8.2920 6.6020 2.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 2.8200 -0.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 2.5110 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 3.2320 -1.9920 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8070 -2.3900 0.3340 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 1.4480 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 1.3430 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8550 3.0660 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8610 4.4270 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3940 5.9420 5.2690 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9880 4.3740 4.0190 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 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 20 21 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 8 1 M CHG 1 26 -1 M CHG 1 32 -1 M CHG 1 33 -1 M END