IBS-ZINC02130020 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 4.4550 1.3030 -2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 0.5870 -1.1990 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -0.5990 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -1.3800 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -2.5340 -2.9980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7900 -3.1860 -3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -3.3350 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -3.1510 -2.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -2.0590 -4.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.7160 -5.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -1.7450 -5.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -1.2980 -6.6300 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3430 -0.5980 -6.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -2.4840 -7.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -2.1020 -8.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -1.2700 -8.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 -1.1510 -9.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 -0.5960 -10.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 -1.8980 -10.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -2.5160 -9.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -3.3580 -10.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -3.5410 -11.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -2.9040 -12.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -2.0700 -11.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -0.5570 -7.5720 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 0.8360 -7.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 1.4780 -6.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 1.5670 -8.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 2.9540 -8.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 3.6200 -9.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 2.9020 -10.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 1.5160 -10.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 0.8550 -9.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 -0.5240 -9.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -1.0530 -9.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -1.2600 -8.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -2.4760 -8.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 0.5320 -2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 1.7770 -2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 2.0640 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -0.0280 -3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -1.2800 -2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -1.7890 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -0.6960 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -2.0400 -4.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -3.3210 -7.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -2.8840 -6.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 -0.7440 -7.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -3.8620 -9.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -4.1890 -12.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -3.0580 -13.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -1.5770 -12.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.5210 -8.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 4.6990 -9.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 3.4240 -11.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 0.9700 -10.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -4.0610 -1.2990 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 57 1 0 0 0 0 9 10 1 0 0 0 0 9 45 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 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 36 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 32 2 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 M CHG 1 57 -1 M END