COMGENEX-ZINC04381234 MOE2007 3D Structure written by MMmdl. 44 46 0 0 0 0 0 0 0 0999 V2000 10.2680 4.4810 2.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5640 3.7530 1.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2310 3.6200 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6170 4.0570 3.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 2.8630 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3010 2.3270 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6380 1.6160 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 1.4370 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5150 1.9700 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 2.6790 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 1.7680 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 0.3370 1.2670 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 0.3930 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 1.0970 1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -0.0010 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -0.4260 0.3670 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -1.5890 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -1.1620 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 -1.4340 -2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 -0.8800 -3.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -0.2060 -3.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -0.2490 -2.8560 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -0.6570 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 0.0310 0.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1880 3.9710 3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3230 4.5220 2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8860 5.5050 3.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3780 2.4500 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2020 1.2000 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 0.8810 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6290 3.0920 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 1.6320 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 2.6670 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.7560 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -2.1780 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -2.2360 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 -2.0040 -1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 -0.9720 -3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 0.3030 -4.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -0.6360 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -1.6900 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 -0.4310 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 1.3020 1.6860 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4550 2.0180 2.3070 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 43 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 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 43 44 1 0 0 0 0 M CHG 1 43 1 M END