COMGENEX-ZINC06709546 MOE2007 3D Structure written by MMmdl. 50 53 0 0 1 0 0 0 0 0999 V2000 -2.6430 0.0870 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 -0.6120 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -2.0070 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 -2.6910 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 -1.9740 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -0.5670 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 0.2260 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -0.4250 0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -4.0440 0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 -4.2100 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 -2.9980 -0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1880 -2.7700 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7360 -2.7560 -1.5920 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9990 -2.3480 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0410 -1.9820 -1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6520 -2.6000 -2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2750 -4.0570 -2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0500 -4.0930 -2.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -5.5310 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9070 -5.9030 1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 -7.1990 1.7950 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 -7.7570 3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7150 -7.0320 4.5050 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5340 -8.9990 2.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0360 -9.8540 3.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1280 -10.8020 4.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1430 -11.3400 3.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 1.1760 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -0.0780 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -2.5080 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6710 -3.5430 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3690 -1.8100 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6880 -2.1710 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8880 -0.9030 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1770 -2.1870 -3.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7300 -2.4440 -3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1360 -4.5630 -3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0310 -4.6010 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7580 -5.5420 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -6.2920 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -5.9580 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 -5.1470 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7330 -7.7360 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6280 -9.3410 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8490 -9.4030 4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0840 -10.8360 4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3030 -10.9420 5.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0060 -11.8530 4.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7810 -11.7510 2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 1.4930 0.1190 O 0 5 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 11 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 50 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 M CHG 1 50 -1 M END