PUBCHEM-ZINC05691152 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 0.1060 1.4640 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 0.0050 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.8240 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -0.6080 2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -1.6750 3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -2.9740 2.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -3.2060 1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -2.1310 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -2.0340 -0.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -0.7850 -1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -0.2870 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 0.0110 -4.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 0.5550 -4.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 1.1420 -3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 0.9030 -2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -4.0510 3.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -3.8960 5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -2.8540 5.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -4.9930 5.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -6.1920 5.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -7.2120 6.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -7.0510 7.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -5.8600 8.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -4.8330 7.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -5.6940 9.5730 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7260 -4.6510 9.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -6.6010 10.3800 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0740 -8.0600 8.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -9.2560 8.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 1.7380 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 1.8810 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 1.8600 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 0.3970 2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -1.5040 4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -4.2150 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -0.9590 -3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 0.7140 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 0.7530 -4.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.9150 -5.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -0.2520 -5.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 1.3350 -5.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 0.6230 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 2.2100 -3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 0.6480 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 1.7850 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -4.9070 3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -6.3180 4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -8.1390 6.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -3.9060 7.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -9.6760 7.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -9.0270 7.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -9.9790 9.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -0.2440 -3.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END