IFLAB-ZINC04941201 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0160 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 1.3960 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 3.5650 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 4.1640 0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 4.2490 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 5.7140 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 6.2360 -0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3310 5.8030 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 7.7790 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 8.1810 -0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 6.9820 -1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 5.9570 -1.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 7.1950 -2.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 8.2850 -2.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0950 7.8620 -2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6940 7.6660 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6260 6.5740 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -2.1630 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1710 -2.7810 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -2.7630 -0.0330 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.5190 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 1.9400 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 3.7710 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 6.0770 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 6.0680 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 8.1870 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0050 8.1070 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1940 6.2650 -3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 7.5000 -3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 8.4300 -3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4720 9.2180 -2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4890 6.9270 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 8.6360 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5690 7.3690 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2950 8.6000 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3330 6.4410 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0290 5.6370 -0.9260 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 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 22 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 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 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END