PUBCHEM-ZINC05664411 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.7790 1.8300 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 0.3470 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -0.0640 -0.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -0.5170 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -1.9300 -0.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2330 -2.1000 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -2.7350 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -2.9430 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -2.4070 4.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -2.7610 5.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -2.1740 4.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -2.7160 2.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -2.3780 -1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -1.7110 -2.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -1.9980 -3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.9080 -4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -3.2100 -5.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -2.6020 -6.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -1.6830 -5.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -1.3820 -4.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -1.1080 -6.3880 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0500 -1.2060 -7.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.8820 -8.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -1.6140 -9.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -2.8640 -7.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -4.0500 -8.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -0.3900 -5.7560 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1670 2.3680 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 2.1280 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 2.0670 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -2.5290 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -3.7990 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -2.6800 2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -4.0270 2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -2.8580 4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -1.3240 4.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -3.8440 5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -2.3440 6.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 -2.4580 4.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 -1.0870 4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -3.8020 2.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 -2.2890 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -3.4550 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 -2.1270 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -3.3810 -3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -3.9160 -5.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 -0.6740 -3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -0.9240 -10.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.1090 -9.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 -2.3510 2.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 50 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 50 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 49 1 0 0 0 0 M CHG 1 21 1 M CHG 1 27 -1 M END