CHEMDIV-ZINC02507020 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 0.0750 1.5370 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 0.0200 -0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4470 -0.4950 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -0.4040 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -1.7310 1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -2.5970 2.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -1.7690 0.9850 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0800 -1.8540 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -0.4430 0.2060 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9970 0.2880 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -0.6790 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 -0.9920 -0.8890 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2110 -0.3340 -0.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -1.9080 -1.4880 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3720 -2.9510 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -4.2410 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -4.2170 1.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 1.8510 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 1.8110 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 2.0290 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -0.5310 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 0.3330 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 0.2180 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -1.5140 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -2.9040 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -2.9070 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -5.4160 0.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -6.2170 0.6900 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 9 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 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END