IBS-ZINC02215787 MOE2007 3D Structure written by MMmdl. 40 42 0 0 0 0 0 0 0 0999 V2000 9.8100 1.3940 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8140 2.9890 -1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3540 1.2610 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 2.0700 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 1.1460 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 1.9340 -0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 1.3030 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 2.0050 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 1.3330 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 2.2970 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 2.2180 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 3.4020 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 4.6450 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 4.7440 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 3.5530 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 3.3470 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 4.0890 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 3.3200 0.2230 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -0.0150 0.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -0.6190 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -0.0490 0.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0200 0.6700 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6340 2.1030 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6200 0.8920 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9580 3.6490 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7110 3.5930 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9480 2.3100 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3930 0.5920 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4540 0.6680 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9860 2.7080 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 2.7370 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 0.5210 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 0.4870 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 2.9410 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 1.2500 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 5.5550 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 5.7140 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -1.7030 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5700 2.1700 -0.0650 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4010 2.8300 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 39 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 21 2 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 39 1 M END