IBS-ZINC05490098 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 1 0 0 0 0 0999 V2000 0.1840 1.3510 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 0.0890 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -0.5990 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 0.0260 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 1.3000 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 1.9550 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 3.2830 -1.6890 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2750 3.8490 -1.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 3.7670 -2.0480 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9110 -0.6780 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -2.1660 -0.2320 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4280 -2.3210 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 -2.7360 0.6790 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0090 -2.8770 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -1.8300 0.8050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -2.2450 1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -3.2100 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -4.6740 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 -4.9520 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -4.1120 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0870 -2.8090 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2460 -3.4530 1.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 1.8340 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -0.3570 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 1.7580 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 -0.2810 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -0.4760 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -2.7000 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -1.3780 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -3.1290 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -2.9290 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -5.1180 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 -5.2130 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -4.8350 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -6.0130 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -3.9860 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 -4.6970 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9100 -2.6270 -0.9580 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 38 -1 M END