IBS-ZINC05067985 MOE2007 3D Structure written by MMmdl. 45 46 0 0 0 0 0 0 0 0999 V2000 4.2870 6.1700 -1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 7.0280 -2.0360 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0450 7.3010 -3.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 8.3730 -1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 6.3050 -1.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 5.9490 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 5.3340 0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 6.1910 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 6.1750 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 5.3840 1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 5.3400 3.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 6.0870 4.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 6.8800 3.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 6.9220 2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 6.0270 5.8500 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 3.9710 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 3.2160 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 1.8410 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 1.2300 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 2.0110 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 5.2000 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 6.6810 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 6.0490 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 7.9310 -3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 7.8120 -3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 6.3410 -4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 8.1930 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 8.8930 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 8.9520 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 5.3930 -2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 6.9610 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 6.8490 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 5.2770 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 7.2280 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 5.8900 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 4.7950 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 4.7220 3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 7.4670 4.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 7.5470 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 3.6870 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 1.2510 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 0.1600 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 1.6140 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 3.3290 1.1100 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4640 3.9040 1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 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 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 16 17 1 0 0 0 0 16 44 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 2 1 M CHG 1 44 1 M END