IFLAB-ZINC04496906 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4240 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.0810 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -0.7910 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -2.1690 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -2.8470 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -2.1240 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -0.7460 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.0210 -2.5040 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8280 -0.4040 -3.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 1.0790 -2.6340 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2320 -4.3230 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -4.9110 -1.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -5.0180 1.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -6.4820 0.9920 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2070 -6.8790 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -6.9690 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -8.2120 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 -9.0500 1.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -8.2530 2.5460 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -7.0830 2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -9.2790 3.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -9.2920 4.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -10.3060 5.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -11.3090 5.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -11.2990 4.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -10.2910 3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 1.8320 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.7840 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.7460 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -0.2660 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -2.7220 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.6430 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -4.5500 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -7.2120 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 -6.2130 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -6.3590 3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -7.3870 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -8.5090 4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -10.3160 5.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -12.1010 5.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -12.0830 4.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -10.2860 3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END