PUBCHEM-ZINC03646724 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 1.2160 1.8820 -1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 1.9680 -1.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 3.2580 -2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 2.7960 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 1.3210 -2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 0.9220 -2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -0.5100 -1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -0.8010 -0.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -1.4030 -2.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -2.7800 -2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -3.6020 -1.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -4.9370 -2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -4.9140 -3.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -3.6220 -3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -6.0690 -3.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -6.1480 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -7.2850 -1.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -5.9700 -0.4970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -7.0710 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -7.8270 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -9.1910 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -10.2220 1.4130 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7290 -10.1000 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -11.1670 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 3.5710 -2.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 1.1170 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 2.8340 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 1.6380 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 3.9050 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 0.7680 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -1.0510 -3.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -3.2440 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -3.4120 -4.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 -6.6630 -3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 -5.7380 -4.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -6.6420 -4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -5.0310 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -7.7320 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -6.6180 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -7.9160 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -7.2690 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 4.5520 -2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 3.7570 -3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -9.3270 -0.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -8.4950 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -10.2180 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 25 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 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 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 25 42 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 M CHG 1 22 1 M END