PUBCHEM-ZINC06349815 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 1 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 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -2.5930 0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3850 -2.1700 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -4.0960 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 -4.7750 -0.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9780 -2.1490 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6340 -1.7500 -2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0270 -2.7080 -3.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6260 -2.3060 -4.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8240 -1.0280 -4.7000 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.4640 -0.0850 -3.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8640 -0.4110 -2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5000 0.5640 -1.7700 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.7130 1.3610 -4.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8050 -4.1720 -2.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2950 -4.9470 -4.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2210 -6.5550 -4.1170 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -6.9900 -3.9100 O 0 0 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 0.5120 -0.3560 -0.8950 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 -1.9440 -0.1820 0.9100 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 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 -1.4140 -0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 -3.1280 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9340 -3.0480 -5.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2460 -0.7740 -5.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6960 1.6580 -3.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9480 1.9820 -3.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6750 1.4900 -5.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7390 -4.3590 -2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3370 -4.4520 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 -4.6790 1.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -2.2070 -1.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -1.3280 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1500 -7.1630 -2.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7410 -7.0820 -5.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 -8.0440 -5.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0830 -6.9190 -3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -5.6460 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 41 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 40 47 1 0 0 0 0 41 42 1 0 0 0 0 43 46 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 13 1 M CHG 1 16 -1 M END