PUBCHEM-ZINC05139264 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 0 0 0 0 0 0999 V2000 -0.2640 -1.2020 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -1.6410 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -0.6200 3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -0.1360 3.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 -0.2990 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 1.1710 1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 1.3970 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 2.8770 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 3.0750 0.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4140 4.3580 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7310 4.6610 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8210 3.8620 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0040 2.4830 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2150 2.0210 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2590 2.8880 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1100 4.2530 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8880 4.7210 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4830 5.9940 -0.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1670 5.9990 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3230 7.0550 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0630 6.6470 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6660 8.5130 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3320 7.1640 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3240 0.6790 -1.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -0.8980 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -2.0280 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -0.3630 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -1.9530 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -2.4710 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -0.0030 3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -1.6680 3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -0.2000 5.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 0.9090 3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -0.7340 3.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -0.6190 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -0.9550 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 1.7810 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 1.5180 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 0.8060 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2720 1.0440 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 3.4540 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 3.2210 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4610 2.2940 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2230 1.7570 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2000 2.5280 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9330 4.9280 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 7.3740 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0810 8.8330 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7800 9.1310 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3830 8.7170 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9770 7.7860 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2980 7.6980 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3690 6.8780 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2090 0.4940 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -0.4840 1.9610 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3910 0.3690 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6170 5.3810 1.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 55 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 55 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 57 2 0 0 0 0 11 12 1 0 0 0 0 11 19 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 47 1 0 0 0 0 21 57 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END