KEYORGANICS-ZINC01390126 MOE2007 3D Structure written by MMmdl. 38 41 0 0 0 0 0 0 0 0999 V2000 7.1470 0.3210 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 0.8760 2.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 1.8380 3.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 2.3940 4.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 2.0170 3.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 2.4250 3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 1.7720 2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 1.1470 2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 0.5360 2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 1.8780 2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 1.7670 1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 1.8880 1.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 2.0950 2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 2.1650 3.4630 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 2.2660 2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3870 2.3810 3.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7560 2.5400 4.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6580 2.5860 3.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1930 2.4720 1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 2.3130 1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 1.5590 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8530 1.1250 2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5040 -0.2100 3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1620 -0.3850 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4910 2.0990 4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 3.1070 5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 3.1300 4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -0.1670 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 2.3470 4.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 2.6260 5.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7210 2.7090 3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8920 2.5060 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 2.2260 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 0.5110 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 2.1870 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 1.8160 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 0.9760 1.9070 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0660 0.3390 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 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 27 1 0 0 0 0 7 10 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 37 2 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 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 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 37 1 M END