PUBCHEM-ZINC04136037 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0160 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 1.3960 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 3.5650 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 4.1640 0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 4.2490 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 5.7140 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 6.2360 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 7.7660 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 8.2880 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 9.8180 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5860 10.1720 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5830 10.3320 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0420 11.0350 -0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 10.3080 -1.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 11.5250 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 12.2170 -0.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 12.0190 -2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 13.2790 -2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 13.7340 -3.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 12.9440 -4.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 11.6940 -4.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 11.2300 -3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 13.4390 -6.1390 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1270 14.5390 -6.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 12.7460 -7.1400 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2200 -2.1630 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1710 -2.7810 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -2.7630 -0.0330 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.5190 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 1.9400 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 3.7710 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 6.0770 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 6.0680 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 5.8720 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 5.8820 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 8.1290 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 8.1200 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 7.9250 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6920 7.9340 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 9.7560 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 13.8970 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 14.7090 -3.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 11.0820 -5.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 10.2560 -3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3320 10.0080 1.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2310 10.3620 1.2120 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 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 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 16 17 2 0 0 0 0 16 51 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 30 1 M CHG 1 32 -1 M END