KEYORGANICS-ZINC01399420 MOE2007 3D Structure written by MMmdl. 43 45 0 0 0 0 0 0 0 0999 V2000 2.9150 8.4770 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 7.3670 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 6.0700 0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 5.0150 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 3.7910 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 3.3560 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 1.9760 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 1.0960 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 1.5530 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 2.9280 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 3.7310 -0.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 3.2460 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 3.8130 -1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 3.7710 -2.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 4.2880 -3.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0210 4.8670 -3.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 4.8910 -2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 4.3530 -1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1850 4.3880 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 4.2710 -5.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 8.3380 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 8.4820 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 9.4530 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 7.5320 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 7.3830 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 5.9480 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 4.0430 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 1.5710 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 0.0300 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 0.8720 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 3.5500 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 2.1540 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 3.3280 -2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4310 5.2920 -4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7830 5.3290 -2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2760 3.3870 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1980 4.7230 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 5.0790 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 5.1700 -5.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 4.2320 -6.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 3.3890 -5.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 5.0500 0.2090 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2030 5.8880 0.3740 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 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 11 1 0 0 0 0 4 42 2 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 5 42 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 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 33 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END