PUBCHEM-ZINC04193013 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -0.0790 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 -0.9100 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -0.5260 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 0.6870 -1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 1.5180 -1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 1.1320 -1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5120 1.1770 -1.0610 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 2.5950 -1.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 0.4610 0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 0.6160 -2.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2690 1.4380 -3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7140 1.4940 -4.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2280 0.1270 -4.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2740 -0.5760 -3.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8570 -0.7150 -2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4840 0.1310 -4.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1450 -1.0660 -5.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3860 -1.0580 -5.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9700 0.1400 -6.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3140 1.3340 -5.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0710 1.3330 -5.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3010 0.1450 -6.7980 N 0 3 0 0 0 0 0 0 0 0 0 0 14.8800 -0.9060 -7.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8170 1.2000 -7.1220 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.5840 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.0640 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -1.8580 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 -1.1750 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 2.4660 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 1.7790 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 0.9910 -4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9210 2.4460 -3.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7440 2.0060 -5.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3300 2.0340 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7100 -1.5660 -3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8820 -0.0070 -2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8980 -1.1300 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 -1.3730 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6900 -2.0020 -4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9010 -1.9890 -5.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7740 2.2680 -6.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5570 2.2660 -5.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 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 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END