IBS-ZINC05033346 MOE2007 3D Structure written by MMmdl. 40 42 0 0 0 0 0 0 0 0999 V2000 -4.7420 3.3200 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 3.4020 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 4.6470 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 4.7540 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 3.5670 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 2.3080 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 2.2250 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 1.3480 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 2.0310 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 3.3710 -0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 4.1180 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 1.3370 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -0.0160 -0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.5960 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -0.0020 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 1.9750 -0.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 1.1650 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 2.0450 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6510 0.3670 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5270 2.1080 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 3.3010 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 4.1780 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 2.4180 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 5.5600 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 5.7260 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 1.2500 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -1.6820 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 2.9830 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8490 0.4950 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 0.5480 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1660 2.6440 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0440 2.7230 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 1.0110 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5950 -0.1550 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -0.3660 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2970 2.6430 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 1.4680 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6890 2.8040 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3530 1.2260 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2310 0.5930 0.7820 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 39 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 39 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 39 1 M END