PUBCHEM-ZINC00985389 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0240 -0.8310 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.1460 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1040 -0.6710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7610 -1.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -3.2120 -1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -3.1690 -2.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -4.2630 -3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -5.4000 -3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -5.4460 -2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -4.3530 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -3.3590 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -4.4330 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -5.5630 2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -5.6340 3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -4.5730 3.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -3.4390 2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -6.8490 3.9600 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6030 -7.7850 3.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -6.9140 4.9120 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0320 -0.3810 2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -0.1860 3.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 0.2320 4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 0.4580 5.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 0.2680 4.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -0.1580 3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -0.3500 2.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -0.1020 3.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -2.2810 -2.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -4.2300 -4.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -6.2540 -3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -6.3350 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -4.3880 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -4.3800 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -6.3950 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -4.6340 4.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -2.6130 2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 -0.3610 2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 0.3840 5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 0.7860 6.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 0.4460 5.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 -0.7600 4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 -0.2940 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 0.9370 3.6260 H 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 6 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 13 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 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END