IBS-ZINC02250042 MOE2007 3D Structure written by MMmdl. 40 42 0 0 0 0 0 0 0 0999 V2000 8.8450 2.9640 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8090 1.3910 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3610 1.2560 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0670 2.0670 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 1.1450 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 1.9350 0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 1.3060 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 2.0090 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 1.3390 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 2.3040 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 2.2280 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 3.4120 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 4.6530 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 4.7520 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 3.5590 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 3.3500 0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 4.0910 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 3.3510 -0.0780 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -0.0080 -0.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -0.6120 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -0.0440 -0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9930 2.2720 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7400 3.5690 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 3.6230 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6000 0.9050 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6320 2.1010 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0310 0.6550 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4760 0.6480 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3830 0.6000 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 2.7460 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 2.6920 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 0.4730 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 0.5330 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 2.9410 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 1.2710 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 5.5510 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 5.7200 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -1.6960 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5770 2.1630 -0.0630 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3950 2.8360 -0.8200 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