COMGENEX-ZINC06869049 MOE2007 3D Structure written by MMmdl. 45 47 0 0 1 0 0 0 0 0999 V2000 -4.7570 6.3840 -4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9880 6.5910 -3.4620 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0150 6.9160 -3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7380 5.3090 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4040 4.2890 -2.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 5.4140 -1.7880 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 6.7010 -1.6650 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2360 7.0560 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 7.8380 -2.8000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 6.6370 -1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 6.0910 -3.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 6.0160 -3.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 6.4740 -2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 7.0150 -1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 7.1090 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 7.4670 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7990 7.0660 -0.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 8.2100 0.8540 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3070 4.2790 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 4.1690 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3870 3.0450 2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 1.6230 2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 0.8030 1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7650 1.6770 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 5.6400 -5.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 7.3110 -5.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 6.0100 -5.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 5.7160 -3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 5.5960 -4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 6.4030 -2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 7.5370 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 4.3630 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 3.3690 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2250 3.9560 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 5.1020 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 3.7860 2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 3.2910 3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 1.2960 3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 1.5510 2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 0.6570 2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 -0.1810 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6350 1.6350 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 1.4700 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 3.0770 1.2220 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6870 3.2590 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 44 1 M END