IBS-ZINC05190791 MOE2007 3D Structure written by MMmdl. 44 47 0 0 1 0 0 0 0 0999 V2000 11.3240 3.4510 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8110 3.3190 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5480 5.2710 -1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4370 6.2620 -1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 5.4880 -1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6300 4.7630 -0.1690 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4550 5.4120 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 3.4230 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4610 3.6120 0.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 2.4930 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 2.5750 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 1.4240 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 1.8120 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 1.1100 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 1.8270 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 3.2210 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 3.9400 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 3.2070 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 3.6400 0.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 4.6110 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 0.1820 0.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 0.1850 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 1.2470 0.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7710 2.4970 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7370 3.7160 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6350 4.2100 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4530 2.9860 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4930 2.6190 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5300 5.7430 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5660 4.4710 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5620 7.1560 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3950 6.5760 -2.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9330 4.7720 -2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3480 6.1450 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2600 2.9310 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1150 2.7700 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0470 4.5310 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 0.0230 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 1.2900 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 3.7590 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 5.0250 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 -0.7890 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1680 4.6560 -0.2830 N 0 3 0 0 0 0 0 0 0 0 0 0 9.5320 5.2950 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 43 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 23 2 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 21 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 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END