PUBCHEM-ZINC03871052 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.2630 2.0620 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.8030 -1.4520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -0.2270 -1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 0.0720 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 1.4130 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 2.4640 -0.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 1.4140 0.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 0.1030 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 -0.7360 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2420 2.5830 0.4930 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7590 3.4620 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 2.7450 2.0160 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7160 1.7490 2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8570 3.4800 1.9720 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4300 3.3940 2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5640 2.8290 0.7910 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0260 1.8850 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 2.4630 -0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6050 3.7380 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4370 2.9730 -0.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0130 3.3530 -0.8700 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5860 2.5850 -1.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1550 4.7960 -0.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7270 2.8120 0.5540 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5950 1.4910 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7850 0.6920 0.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5730 1.1040 2.1600 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3970 1.8250 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 1.0910 3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7690 0.7080 4.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0630 0.7560 6.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9490 1.2340 6.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7950 0.2280 7.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3960 0.2300 7.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7200 -0.1710 6.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6120 4.8750 1.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 4.9340 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 3.5460 2.5820 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1480 -1.5190 -1.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 2.8560 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -0.1740 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1300 4.5180 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2170 4.2070 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4310 3.4470 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4190 2.0850 3.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9940 0.4010 3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1600 -0.3060 4.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6220 1.3960 4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -1.6630 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -2.2850 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1400 -0.2250 1.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 -0.1910 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3610 -0.8720 1.6980 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 40 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 36 37 1 0 0 0 0 39 49 1 0 0 0 0 39 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 M CHG 1 38 -1 M END