KEYORGANICS-ZINC01399625 MOE2007 3D Structure written by MMmdl. 54 58 0 0 0 0 0 0 0 0999 V2000 -7.8130 0.2340 11.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8770 -0.3160 9.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7280 -0.3760 9.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4780 0.1120 9.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 0.6740 10.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6010 0.7260 11.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 1.1830 11.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 1.1490 10.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 0.6050 9.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 0.0840 8.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -0.4630 7.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 0.2200 6.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 -0.7100 5.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -1.8640 5.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 -1.7430 7.1350 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 -2.7710 5.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 -0.6290 3.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 0.3880 3.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 0.4900 1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 -0.1680 1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -0.2770 3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 1.0720 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 1.7590 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 1.0380 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 1.6740 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 3.0370 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 3.7590 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 3.1310 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 5.4430 -0.1150 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.7040 0.2820 11.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8190 -0.7040 9.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8190 -0.8180 8.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5730 1.1550 12.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 1.6140 12.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 1.5440 10.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 0.5770 8.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 1.2570 6.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 -1.6150 3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 1.3790 3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 0.1000 3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 1.2850 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -0.4550 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -1.1240 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 0.1730 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 0.6730 3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -1.0400 3.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 1.6940 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 0.0950 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -0.0260 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 1.1060 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 3.5250 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 3.7180 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 0.8450 1.3290 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6970 1.7460 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 21 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 41 1 0 0 0 0 19 42 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 53 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END