IFLAB-ZINC05257861 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 1.7540 0.9580 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -0.3830 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.7460 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 0.2100 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 1.5470 -0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 1.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 3.3060 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 3.9180 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 3.3950 1.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 5.4180 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 5.9760 0.3100 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4640 5.6470 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 7.5170 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 7.9270 1.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1620 5.5600 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 5.5280 2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3070 5.7330 2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -2.0390 -0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 1.2040 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -1.1210 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 -0.0830 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 2.2760 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 3.8970 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 5.6600 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 5.8800 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4110 6.4920 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4670 4.7060 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 6.3150 3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 4.5710 3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 4.9160 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5610 6.6870 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -2.5860 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 8.1150 -0.6630 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6850 5.4960 1.5430 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3870 6.2250 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 4.5530 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8850 5.7680 4.0580 N 0 3 0 0 0 0 0 0 0 0 0 0 9.9020 5.9280 4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7290 4.8840 4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4770 6.5240 4.6260 H 0 0 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 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 34 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 30 1 0 0 0 0 17 31 1 0 0 0 0 17 37 1 0 0 0 0 18 32 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 M CHG 1 33 -1 M CHG 1 34 1 M CHG 1 37 1 M END