KEYORGANICS-ZINC04054410 MOE2007 3D Structure written by MMmdl. 43 45 0 0 1 0 0 0 0 0999 V2000 0.0640 -0.6980 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -0.0590 0.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7690 -0.4550 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 1.4520 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 2.2150 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 3.6030 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 4.2460 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 3.5030 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 2.1150 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 0.1230 2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -0.2410 2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 -1.6930 2.7820 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -2.3770 1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -2.0050 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 -2.3770 3.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 -3.4570 3.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 -4.1510 5.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1500 -3.7820 6.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 -2.7180 6.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 -2.0280 5.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -2.2020 7.8510 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 -4.6730 7.6640 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -0.2810 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -1.7760 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -0.5380 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 1.7440 -1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 4.1850 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 5.3260 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 4.0060 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 1.5610 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -0.2570 2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 1.2100 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 0.2120 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 0.2080 3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -2.0960 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -3.4680 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -2.4110 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -2.3930 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -3.7590 2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 -4.9740 4.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -1.2220 5.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -0.4890 0.7330 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1220 -0.1180 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 42 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 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