IBS-ZINC05164782 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 0.4990 1.4030 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -0.0230 -0.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -0.5980 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -2.1210 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -2.7360 2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 -4.1940 2.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -4.9730 3.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -4.3820 4.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 -5.0980 5.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 -6.4840 5.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -7.0690 3.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -6.2890 2.9870 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -8.4460 3.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -8.9840 2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 -10.5090 2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -10.8640 2.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -10.3570 3.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -8.8300 3.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5530 -7.3170 6.1020 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8740 -7.5930 7.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -7.7260 6.0220 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7600 -4.4720 6.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 1.7100 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 1.7610 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 1.8240 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -0.3320 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -0.2180 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -2.3870 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -2.5010 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -2.4700 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -2.3570 2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 -4.6140 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -8.5730 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -8.7090 2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -10.9080 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -10.9240 3.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -10.6460 3.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -10.7670 4.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -8.4440 4.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -8.4170 3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -3.5050 6.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 -5.0000 6.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 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 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END