CHEMBRIDGE-ZINC00435947 MOE2007 3D Structure written by MMmdl. 41 44 0 0 0 0 0 0 0 0999 V2000 0.5900 4.9220 3.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 3.6960 3.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 3.1170 2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 3.7540 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 5.0020 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 5.5760 2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 3.1320 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 1.7440 -0.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 0.6140 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 0.4630 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -0.8540 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 -1.9590 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -1.7960 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -0.4860 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 1.3530 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 2.1870 -0.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 1.5330 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 2.5950 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 3.0810 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 4.1000 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 4.3610 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 3.3820 1.6750 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 5.3730 4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 3.1930 4.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 2.1630 2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 5.5440 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 6.5400 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 3.1860 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 3.6620 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 1.3080 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -1.0310 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 -2.9630 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -2.6350 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 3.1880 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 0.9990 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 0.8240 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 2.7240 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7840 4.6150 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 5.0790 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 0.0240 -0.2870 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6980 -0.5510 -0.3520 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 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 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 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 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 40 2 0 0 0 0 16 17 1 0 0 0 0 16 34 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 40 41 1 0 0 0 0 M CHG 1 40 1 M END