PUBCHEM-ZINC06018872 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 0 0 0 0 0 0999 V2000 -0.0910 1.3770 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.0400 -0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -0.5480 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 0.1900 2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -0.4520 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -1.8520 3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -2.6350 2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -1.9510 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -4.0220 2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -4.0180 3.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -2.7090 4.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -2.4150 4.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 -5.1810 4.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -6.4080 3.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -6.4810 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -5.2980 1.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -5.4280 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -6.6440 0.2250 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6040 -7.7750 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -7.7180 2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -6.7290 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -6.6360 -2.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -6.9610 -4.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -7.1210 -6.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -5.8950 -6.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -5.5580 -5.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -5.4040 -3.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 1.8190 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 1.6170 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 1.8050 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 1.2760 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 0.1280 3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -2.4830 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 -5.1400 5.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 -7.3140 4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -4.5780 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -8.7240 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -8.6450 2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -7.6760 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -5.9160 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -5.7170 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -7.4910 -2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -7.8890 -4.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -6.1320 -4.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -7.2960 -6.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -8.0070 -5.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -5.0390 -6.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -6.0720 -7.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -4.6310 -5.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -6.3480 -5.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -4.5710 -3.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -5.2540 -3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -6.6710 -3.5790 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0260 -7.4600 -3.5780 H 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 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 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 35 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 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 18 1 M CHG 1 53 1 M END