IBS-ZINC02321607 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 0.4260 1.0730 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -0.3330 0.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -0.8280 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -2.2090 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -2.8470 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -2.1260 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 -0.7330 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -0.0900 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 -2.7750 0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -4.1430 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1480 -5.0440 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4050 -4.4520 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1150 -3.1280 -0.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.6790 -3.1550 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0110 -2.1070 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2470 -0.9140 0.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0380 -2.7620 -1.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4460 -2.5640 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6320 -1.1730 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4570 -0.2650 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5240 -2.6130 -2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 -2.7840 -2.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5080 -2.2320 -3.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8400 -1.9910 -4.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8150 -1.5750 -6.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0330 -1.4880 -5.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 1.3020 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 1.4010 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 1.6160 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -2.8040 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -3.9240 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2240 -0.0940 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 0.9890 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4820 -4.8810 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7790 -5.1900 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0930 -2.7520 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7230 -3.2980 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0540 -0.8900 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5380 0.7290 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0510 -0.4850 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2370 -3.0440 -3.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0350 -1.3230 -3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0810 -1.2040 -4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3220 -2.9010 -5.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2720 -1.3650 -7.1870 O 0 5 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 15 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 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 21 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 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 45 -1 M END