CHEMSTAR-ZINC04108683 MOE2007 3D Structure written by MMmdl. 46 50 0 0 0 0 0 0 0 0999 V2000 0.4450 4.2250 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 3.2180 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 2.1160 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 2.0180 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 3.0290 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 4.1290 -0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 0.8360 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 0.5220 1.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 -0.6550 2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -1.7820 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -2.7770 2.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -2.6440 4.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 -1.5080 4.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -0.5340 3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 1.3220 2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 2.5790 1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 3.2530 2.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 4.4630 2.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 5.3300 3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3240 6.4890 2.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0470 7.1850 3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6270 8.4600 3.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3320 9.0420 4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4640 8.3720 5.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8980 7.1080 5.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1920 6.5320 4.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3920 5.0120 4.7160 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 5.0800 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 3.2890 1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 1.3380 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 2.9740 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 4.9090 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 1.0450 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -0.0220 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -1.8900 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -3.6800 2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -3.4450 4.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4770 -1.3880 5.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 2.9670 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9890 4.7960 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5240 8.9830 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7800 10.0250 4.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0160 8.8380 6.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0030 6.5880 6.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 0.6770 3.3490 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2340 1.0780 4.1040 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 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 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 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 38 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 45 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 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END