PUBCHEM-ZINC05336167 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 1.1160 1.4440 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.0660 -0.4980 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1590 -0.2920 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -0.5480 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -2.0090 0.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -2.6830 2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -1.9860 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -2.6550 4.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 -4.0190 4.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -4.7170 3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -4.0520 2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -4.7990 1.0980 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0420 -4.2900 0.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -5.9220 0.8140 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9980 -4.7340 5.5770 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5340 -4.1210 6.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -5.9360 5.6750 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1790 1.6700 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.7880 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 1.9510 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -0.2450 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -0.1090 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -2.5080 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -0.9200 3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -2.1130 5.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -5.7820 3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -0.5560 -1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -0.7500 -1.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -1.7430 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M CHG 1 15 1 M CHG 1 17 -1 M END