CHEMDIV-ZINC05345530 MOE2007 3D Structure written by MMmdl. 42 44 0 0 0 0 0 0 0 0999 V2000 4.1330 -0.9670 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -0.7300 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0240 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6740 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.0040 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 1.3870 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 2.0860 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 1.3910 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 3.5610 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 4.2260 -0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 4.1910 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 3.3970 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 2.0580 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 4.0320 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 5.2440 0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 3.2670 0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 3.8630 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 3.2160 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2220 3.8100 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4610 5.0410 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 5.6850 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 5.1000 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0470 5.7920 0.5650 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.6470 5.2410 1.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8530 7.1900 0.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9560 5.2830 -0.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -1.5500 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 -0.0090 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 -1.5130 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 -0.1470 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 -1.6880 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.7540 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5580 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 1.9300 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 5.2660 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 2.3040 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7960 2.2520 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0070 3.3100 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6470 6.6470 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 5.6030 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9180 5.1990 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5260 5.0680 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END