KEYORGANICS-ZINC04003069 MOE2007 3D Structure written by MMmdl. 43 46 0 0 0 0 0 0 0 0999 V2000 4.4270 -3.8570 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -5.0130 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 -5.5860 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 -5.0160 1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -3.8600 1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 -3.2660 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -2.0570 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -0.8100 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.0350 -0.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3790 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 1.9450 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 1.1850 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -0.1150 -0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -0.6930 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 3.6050 -1.7050 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 -0.3950 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 0.1630 2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6010 -0.2710 3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3970 -0.0100 3.6040 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8370 -0.9150 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0460 -0.4260 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -7.0040 1.6720 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6630 -3.4460 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 -5.4690 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -5.4670 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -3.4320 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 1.9270 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 1.6810 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -0.7190 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 -0.9500 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9090 0.6720 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 1.2210 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -0.0120 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3930 -1.3290 3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 0.3060 4.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -1.9840 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9070 -0.7750 1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3450 -1.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1970 0.6400 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5450 -0.6550 1.0690 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4360 -1.6520 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -1.9360 -0.1960 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7410 -2.6820 -0.0810 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 42 2 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 40 1 M CHG 1 42 1 M END