IFLAB-ZINC00127471 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 39 0 0 0 0 0 0 0 0999 V2000 0.0070 1.3760 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.0040 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -0.6830 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 0.0400 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 1.4190 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 2.0860 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 2.1880 -1.7990 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0890 1.6020 -2.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 3.4050 -1.7820 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0920 -2.1600 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 -2.7490 -1.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -2.8560 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -4.2460 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -4.9830 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -6.3720 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -7.0810 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -6.3310 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -4.9400 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -4.3550 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 -5.1650 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 -6.5520 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -7.1680 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 -8.5200 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -9.5550 -0.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -8.4160 -0.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 1.9020 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -0.5580 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -0.4790 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 3.1660 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -2.3880 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -4.4560 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -6.8970 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -3.2830 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 -4.7050 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3590 -7.1440 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -9.1640 -0.4440 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 36 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END