Molecule-1 WLViewer 3D 0 44 49 0 0 0 0 0 0 0 0 0 19.5015 2.8531 0.0106 C 0 0 0 0 0 0 0 0 0 1 18.2259 4.0356 0.0139 S 0 0 0 0 0 0 0 0 0 2 17.0117 2.7883 -0.0017 C 0 0 0 0 0 0 0 0 0 3 17.5393 1.5616 -0.0054 C 0 0 0 0 0 0 0 0 0 4 19.0362 1.6016 0.0004 C 0 0 0 0 0 0 0 0 0 5 22.8793 4.4696 0.0066 C 0 0 0 0 0 0 0 0 0 6 21.3838 4.4382 0.0241 C 0 0 0 0 0 0 0 0 0 7 20.9153 3.1918 0.0111 C 0 0 0 0 0 0 0 0 0 8 22.1910 2.0160 -0.0175 S 0 0 0 0 0 0 0 0 0 9 23.4350 3.2509 -0.0188 C 0 0 0 0 0 0 0 0 0 10 15.5863 3.0645 -0.0079 C 0 0 0 0 0 0 0 0 0 11 14.3513 1.8370 0.0136 S 0 0 0 0 0 0 0 0 0 12 13.0949 3.0484 -0.0047 C 0 0 0 0 0 0 0 0 0 13 13.5856 4.2898 -0.0269 C 0 0 0 0 0 0 0 0 0 14 15.0784 4.2983 -0.0279 C 0 0 0 0 0 0 0 0 0 15 11.1853 1.5019 0.0255 C 0 0 0 0 0 0 0 0 0 16 9.6928 1.4921 0.0256 C 0 0 0 0 0 0 0 0 0 17 9.1830 2.7256 0.0065 C 0 0 0 0 0 0 0 0 0 18 10.4196 3.9550 -0.0108 S 0 0 0 0 0 0 0 0 0 19 11.6746 2.7426 0.0040 C 0 0 0 0 0 0 0 0 0 20 7.7557 2.9993 0.0003 C 0 0 0 0 0 0 0 0 0 21 6.5444 1.7507 -0.0125 S 0 0 0 0 0 0 0 0 0 22 5.2660 2.9306 -0.0079 C 0 0 0 0 0 0 0 0 0 23 5.7297 4.1830 0.0006 C 0 0 0 0 0 0 0 0 0 24 7.2268 4.2256 0.0052 C 0 0 0 0 0 0 0 0 0 25 3.3830 1.3440 -0.0182 C 0 0 0 0 0 0 0 0 0 26 1.8864 1.3132 -0.0047 C 0 0 0 0 0 0 0 0 0 27 1.3316 2.5323 0.0137 C 0 0 0 0 0 0 0 0 0 28 2.5758 3.7665 0.0126 S 0 0 0 0 0 0 0 0 0 29 3.8514 2.5903 -0.0084 C 0 0 0 0 0 0 0 0 0 30 17.0006 0.7192 -0.0112 H 0 0 0 0 0 0 0 0 0 0 19.6179 0.7882 -0.0030 H 0 0 0 0 0 0 0 0 0 0 23.4114 5.3163 0.0132 H 0 0 0 0 0 0 0 0 0 0 20.8060 5.2542 0.0432 H 0 0 0 0 0 0 0 0 0 0 24.4186 3.0714 -0.0360 H 0 0 0 0 0 0 0 0 0 0 13.0209 5.1149 -0.0412 H 0 0 0 0 0 0 0 0 0 0 15.6325 5.1307 -0.0418 H 0 0 0 0 0 0 0 0 0 0 11.7507 0.6772 0.0397 H 0 0 0 0 0 0 0 0 0 0 9.1396 0.6591 0.0386 H 0 0 0 0 0 0 0 0 0 0 5.1468 4.9955 0.0037 H 0 0 0 0 0 0 0 0 0 0 7.7644 5.0688 0.0111 H 0 0 0 0 0 0 0 0 0 0 3.9607 0.5278 -0.0328 H 0 0 0 0 0 0 0 0 0 0 1.3539 0.4668 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0.3481 2.7124 0.0263 H 0 0 0 0 0 0 0 0 0 0 21 18 1 0 0 0 5 1 2 0 0 0 4 5 1 0 0 0 3 4 2 0 0 0 2 3 1 0 0 0 1 2 1 0 0 0 10 9 1 0 0 0 9 8 1 0 0 0 8 7 2 0 0 0 7 6 1 0 0 0 6 10 2 0 0 0 1 8 1 0 0 0 20 13 1 0 0 0 15 11 2 0 0 0 14 15 1 0 0 0 13 14 2 0 0 0 12 13 1 0 0 0 11 12 1 0 0 0 20 19 1 0 0 0 19 18 1 0 0 0 18 17 2 0 0 0 17 16 1 0 0 0 16 20 2 0 0 0 3 11 1 0 0 0 30 23 1 0 0 0 25 21 2 0 0 0 24 25 1 0 0 0 23 24 2 0 0 0 22 23 1 0 0 0 21 22 1 0 0 0 30 29 1 0 0 0 29 28 1 0 0 0 28 27 2 0 0 0 27 26 1 0 0 0 26 30 2 0 0 0 4 31 1 0 0 0 5 32 1 0 0 0 6 33 1 0 0 0 7 34 1 0 0 0 10 35 1 0 0 0 14 36 1 0 0 0 15 37 1 0 0 0 16 38 1 0 0 0 17 39 1 0 0 0 24 40 1 0 0 0 25 41 1 0 0 0 26 42 1 0 0 0 27 43 1 0 0 0 28 44 1 0 0 0 M END