KEYORGANICS-ZINC01384176 MOE2007 3D Structure written by MMmdl. 52 56 0 0 0 0 0 0 0 0999 V2000 2.2010 12.4120 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 11.5490 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 10.0970 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 9.3170 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 9.9680 -1.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 9.4570 -2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 10.5250 -3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 11.2800 -1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 12.1320 -1.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 10.5010 -4.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 9.4020 -5.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 9.4110 -6.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 10.5130 -7.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0660 11.6080 -6.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 11.6020 -5.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 7.9560 -0.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 7.0570 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 5.7580 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 5.1330 -0.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 6.0070 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 7.3260 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 3.8320 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 3.3850 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 2.0420 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 1.1420 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 1.6120 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 12.9510 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 13.1360 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 11.8170 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 9.7090 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 8.3970 -2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 8.5300 -5.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 8.5600 -7.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 10.5200 -8.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 12.4670 -6.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 12.4680 -4.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 6.8180 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 7.5490 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 5.0980 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 5.9770 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 6.2210 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 5.5320 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 7.1240 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 8.0040 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 4.0820 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 1.7040 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.0910 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 0.9730 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 11.6490 -3.0010 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4300 12.6060 -3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 2.9110 -0.8480 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6240 3.2280 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 9 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 10 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 49 2 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 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 51 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 51 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 49 1 M CHG 1 51 1 M END