PUBCHEM-ZINC04774525 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 1 0 0 0 0 0999 V2000 0.7100 1.7320 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 0.3660 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -0.4760 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 0.0340 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0920 1.4020 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 2.2640 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 3.7470 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 4.2080 1.8310 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 5.9730 1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 6.8260 2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 6.7240 4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 5.7040 5.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 6.0430 6.3030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 7.3450 6.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 8.3950 5.8030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 8.0280 4.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 8.9000 3.5360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 8.1910 2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 8.7410 1.2850 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 7.8330 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 6.4990 0.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 10.3430 3.6100 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3140 10.6120 4.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 10.8990 2.7290 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4100 10.4900 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 12.3660 2.6690 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5270 12.9030 3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 12.2530 2.5140 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7700 13.0760 3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 11.0260 3.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 12.2020 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 11.9900 1.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 11.2440 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 13.0470 1.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 12.6780 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 10.8330 3.3190 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4630 4.3580 4.8130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -1.9050 -0.7460 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1860 -2.3140 -0.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -2.6240 -0.9360 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1400 2.3840 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -0.0160 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 -0.6070 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1070 1.7940 -0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 4.0410 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 4.2920 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 7.5730 7.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 8.2190 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 11.3810 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 13.1390 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 4.0170 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 3.7190 5.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 41 1 0 0 0 0 2 3 2 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 4 5 2 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 21 2 0 0 0 0 10 11 1 0 0 0 0 10 18 2 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 37 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 30 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 36 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 34 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 37 51 1 0 0 0 0 37 52 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 M CHG 1 36 -1 M CHG 1 38 1 M CHG 1 40 -1 M END