IFLAB-ZINC02722388 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -1.8390 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.9340 -0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -2.3060 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 -3.7500 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -4.2600 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -5.7450 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -6.7150 1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 -7.9420 1.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -8.7930 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4880 -7.7870 1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -6.4050 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0670 -5.9460 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0980 -6.8420 1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8450 -8.2070 1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5520 -8.6820 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5210 -6.3460 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -6.4860 1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 -1.3690 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3910 -1.0400 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 -1.8070 -2.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 -1.4670 -3.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 -0.3840 -3.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 0.3220 -3.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 0.0320 -2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 0.1090 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 -3.9540 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -4.2560 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -4.0560 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -3.7540 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2710 -4.8850 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6710 -8.9040 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3660 -9.7460 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8790 -6.2200 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1500 -7.0700 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5630 -5.3890 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -6.4360 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -7.3090 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -5.5490 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -1.8240 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 -0.4550 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8090 -2.6480 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4150 -2.0420 -3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 -0.1130 -4.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 0.6360 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 20 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 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 52 1 0 0 0 0 M END