IBS-ZINC04040161 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 2.7780 -0.6550 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -0.9540 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -0.8400 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -1.2140 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -1.5400 -0.8780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -1.8380 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -1.3820 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -1.6330 -1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 -1.4600 -1.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -2.0550 -3.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -2.2840 -4.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -1.2480 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -0.4080 2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -1.4330 3.6470 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7420 -0.8840 4.8520 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0940 0.1260 4.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -0.8620 5.9820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 -1.3150 5.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -1.3990 6.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.7030 4.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -2.1450 3.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -0.4040 7.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -1.5850 8.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -0.1970 9.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 -2.2620 10.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -1.7820 5.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 -1.5610 4.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -2.6480 5.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 -3.4690 5.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -2.9420 5.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 0.7750 2.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -1.5570 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 -0.3160 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 0.1250 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -2.6200 -5.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -1.3560 -4.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -3.0460 -3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 -0.3120 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -2.0790 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -1.3770 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 0.0130 7.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 0.3620 7.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 -2.0020 7.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -2.3500 8.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 -0.7000 9.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 0.6700 8.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 0.1280 10.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -2.8960 10.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -2.8400 9.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -1.8930 11.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -0.7160 4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0110 -2.7930 5.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 -4.3960 6.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -2.3550 3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -1.1250 9.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 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 10 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 31 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 55 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 55 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 M END