IBS-ZINC02326251 MOE2007 3D Structure written by MMmdl. 58 61 0 0 0 0 0 0 0 0999 V2000 4.2900 2.5290 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 1.5760 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 0.2250 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -0.5900 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -0.1080 -0.5990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 1.2130 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 2.0930 -0.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 1.6740 -0.6310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 2.9740 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 3.3370 -0.6380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 4.7900 -0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 5.4640 -2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 6.7910 -2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 6.9910 -2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 8.3330 -2.8250 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9750 8.7600 -3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1090 9.0260 -2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 8.0850 -1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 8.5500 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 9.9250 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 10.8360 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 10.4040 -2.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 2.3710 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 2.4500 -2.0660 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 1.2640 -0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 1.0590 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 2.0990 2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 1.8190 3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 0.5010 3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -0.5390 3.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 -0.2610 1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -2.0680 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 2.4980 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 3.5560 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7310 2.2680 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 -0.1770 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 0.9510 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 4.8790 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 5.2950 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 5.5830 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 4.8160 -2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 6.2880 -3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 7.8570 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 10.2860 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 11.9010 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 11.1170 -2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 0.4910 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 3.1400 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 2.6330 4.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 0.2850 4.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -1.5680 3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 -1.0930 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 -2.2710 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 -2.5020 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -2.5630 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 3.5860 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 3.9180 -0.1640 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0240 4.8890 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 57 2 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END