COMGENEX-ZINC06710126 MOE2007 3D Structure written by MMmdl. 47 50 0 0 0 0 0 0 0 0999 V2000 0.0310 3.8640 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 5.2480 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 5.8760 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 5.1770 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 3.7920 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 3.1210 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 1.6250 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 1.0340 1.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 6.0180 0.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 7.2160 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 7.1780 0.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 8.3050 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 9.1350 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 8.7890 2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 10.0060 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 8.4410 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 8.8720 1.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 10.1970 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 11.1140 0.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 10.3980 2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 10.1000 3.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 11.3520 4.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 12.4730 3.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 11.8390 3.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 3.3500 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 5.7920 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 3.2440 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 8.9080 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 7.9130 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 9.5440 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 7.9430 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 8.9350 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 10.9790 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 9.9780 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 8.2000 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 9.2550 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 8.1460 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 9.7210 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 9.8880 3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 9.2300 4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 11.2640 5.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 11.5140 5.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 13.3640 4.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7380 12.7540 3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5880 11.8300 3.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 12.4020 2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 1.0750 1.0450 O 0 5 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 47 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 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 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 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 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M CHG 1 47 -1 M END