PUBCHEM-ZINC06389756 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 49 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 1.7950 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 2.2560 -2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 2.4880 -3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 2.2560 -3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 1.8230 -2.3220 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6970 2.9880 -4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 3.1460 -5.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 3.6650 -7.2020 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 4.9640 -7.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 2.4980 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9690 4.1540 -1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2070 5.6030 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7100 5.8860 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 7.3350 -0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4510 7.6180 -0.9130 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.9460 6.8870 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6910 9.0040 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9130 9.9190 -1.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 1.5530 -0.0090 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 2.4340 -4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 2.2690 -5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 3.9480 -4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 2.3300 -3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 1.8120 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4520 3.4810 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3880 3.9980 -2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7890 5.7590 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7240 6.2770 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1290 5.7300 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1930 5.2120 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5300 7.4910 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4650 8.0090 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5510 8.1920 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 1.6720 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 3.8450 -8.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 2.5900 -7.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5260 3.8820 -1.8630 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 4.0820 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6580 9.2210 0.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9940 7.5240 -2.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9030 6.5870 -2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8180 10.1270 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 1.7130 -8.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 4.1560 -8.9580 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 38 45 1 0 0 0 0 40 49 1 0 0 0 0 41 48 1 0 0 0 0 42 43 1 0 0 0 0 44 47 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 7 1 M CHG 1 21 -1 M END