tbutanol.mol -ISIS- 3D 15 14 0 0 0 0 0 0 0 0 0 -0.0030 0.0162 0.0316 O 0 0 0 0 0 1.4578 0.0054 0.0117 C 0 0 0 0 0 1.9809 1.4559 -0.0053 C 0 0 0 0 0 1.6793 1.9918 0.9147 H 0 0 0 0 0 3.0841 1.4858 -0.0630 H 0 0 0 0 0 1.5682 1.9990 -0.8732 H 0 0 0 0 0 1.9826 -0.7538 1.2469 C 0 0 0 0 0 1.6841 -0.2395 2.1803 H 0 0 0 0 0 1.5697 -1.7772 1.2682 H 0 0 0 0 0 3.0858 -0.8186 1.2399 H 0 0 0 0 0 1.8212 -0.7302 -1.2876 C 0 0 0 0 0 1.3998 -0.1951 -2.1561 H 0 0 0 0 0 2.9158 -0.8002 -1.4102 H 0 0 0 0 0 1.3999 -1.7502 -1.2774 H 0 0 0 0 0 -0.2830 0.4858 0.8411 H 0 0 0 0 0 1 2 1 0 0 0 1 15 1 0 0 0 2 3 1 0 0 0 2 7 1 0 0 0 2 11 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 M END