PUBCHEM-ZINC06252115 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -0.4190 1.2320 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -0.1440 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -0.7250 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 0.0680 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 1.4510 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 2.0290 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 -0.5550 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 -0.7850 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 -2.0680 -2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 -2.8330 -2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8530 -1.4630 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5390 -0.6620 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4600 -2.7740 -2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6860 -1.8510 -1.9880 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6940 -1.3490 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9940 -2.6290 -2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0740 -1.8120 -1.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3140 -2.3880 -1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2980 -1.6000 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6090 -2.0660 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9360 -3.3350 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9630 -4.1300 -2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6540 -3.6510 -2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3070 -3.8380 -1.2530 N 0 3 0 0 0 0 0 0 0 0 0 0 19.1410 -3.1000 -0.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5510 -4.9750 -1.6830 O 0 5 0 0 0 0 0 0 0 0 0 0 10.5820 -0.8270 -2.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 -0.6310 -3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 1.6830 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -0.7640 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -1.8000 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 2.0930 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 3.1020 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 0.1000 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -1.5040 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 -1.4160 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 0.1530 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 -1.2210 -3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 -2.7410 -3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9730 -3.7240 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3350 -3.1790 -3.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 -0.7890 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7710 -2.2820 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 -0.3630 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 0.2260 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5580 -3.3010 -3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4460 -3.5330 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9510 -3.5490 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1480 -2.8610 -3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0390 -0.6130 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3480 -1.4300 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2000 -5.1170 -2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9250 -4.2880 -2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4010 -1.5160 -1.3640 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2910 -2.3240 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2010 -1.9910 -2.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 54 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 54 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 10 56 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 11 56 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 13 56 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 54 1 M END