KEYORGANICS-ZINC01393444 MOE2007 3D Structure written by MMmdl. 48 51 0 0 0 0 0 0 0 0999 V2000 0.4970 1.2860 2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 2.8560 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 2.9780 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 2.6610 -1.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 1.3880 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 1.2480 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 3.3870 -2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 4.7760 -2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 5.3490 -3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 4.6080 -4.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 3.2740 -4.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 2.6530 -3.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 2.4470 -5.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 3.0130 -6.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 2.1820 -7.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4850 0.8060 -7.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 0.3170 -6.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 1.0960 -5.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 6.7950 -3.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 7.5510 -2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 8.9170 -3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 9.5420 -4.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 8.8130 -5.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 7.4480 -4.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 11.2200 -4.5380 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 5.5830 -1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 6.2050 -0.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 2.0240 2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 0.2690 2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 1.4140 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 2.9500 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 3.6020 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 3.9640 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 2.2600 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 1.3010 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 0.5620 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 1.9860 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 0.2390 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 4.0910 -6.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 2.6080 -8.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 0.1350 -8.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -0.7520 -6.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 7.0810 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 9.4810 -2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 9.2930 -6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 6.8870 -5.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 1.4830 0.7860 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9260 0.7780 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 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 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 26 27 3 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END