KEYORGANICS-ZINC01399125 MOE2007 3D Structure written by MMmdl. 54 57 0 0 0 0 0 0 0 0999 V2000 1.4470 1.2470 1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 0.8880 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 1.2090 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 2.6590 -0.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 3.4470 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 3.1070 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 3.1800 -2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 2.4730 -3.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 3.2240 -4.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 4.5320 -3.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 4.8210 -2.3100 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 5.6070 -4.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9260 4.9020 -4.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3550 5.3400 -4.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6720 6.6320 -5.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7330 7.7300 -4.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 7.2990 -5.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8310 6.8280 -5.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5400 8.0410 -5.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7140 8.2460 -6.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2070 7.2370 -7.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5280 6.0270 -7.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3570 5.8290 -6.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 1.5640 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 1.7600 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 0.1650 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -0.1850 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 1.2200 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 0.7000 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 0.7810 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 4.5260 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 3.2340 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 3.4330 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 3.5760 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 2.7540 -5.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 6.5150 -4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 5.3110 -5.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 4.7120 -6.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6570 4.0050 -4.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4410 5.4480 -3.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0540 4.5440 -4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7990 8.0240 -3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9560 8.6170 -5.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 8.0630 -4.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1740 7.1170 -6.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2070 8.8450 -5.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2430 9.1930 -6.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1180 7.3930 -8.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9040 5.2340 -8.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8450 4.8780 -6.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 1.6070 1.1240 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6050 1.2960 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 5.9990 -4.5960 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.0100 6.1690 -3.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 6 51 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 51 1 M CHG 1 53 1 M END