@MOLECULE (2r)-3-(2-methylphenoxy)-1,2-propanediol 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2579 0.0595 0.3500 O.3 1 UNL1111111111 0.0445 2 O 2.3245 -0.3791 -1.3893 O.3 1 UNL1111111111 -0.4123 3 O 4.4195 -0.2987 0.4474 O.3 1 UNL1111111111 -0.3554 4 C 2.3985 0.6562 -0.4370 C.3 1 UNL1111111111 -0.0192 5 C 1.0039 1.1952 -0.1044 C.3 1 UNL1111111111 -0.6196 6 C -1.1000 0.1863 0.2168 C.ar 1 UNL1111111111 -0.1314 7 C 3.1258 0.1332 0.8109 C.3 1 UNL1111111111 -0.5901 8 C -1.8005 -1.0304 0.1132 C.ar 1 UNL1111111111 0.4027 9 C -1.7529 1.4161 0.2008 C.ar 1 UNL1111111111 -0.2600 10 C -3.1787 -0.9746 -0.0783 C.ar 1 UNL1111111111 -0.2894 11 C -1.0793 -2.3290 0.1929 C.3 1 UNL1111111111 -1.1329 12 C -3.1309 1.4424 -0.0068 C.ar 1 UNL1111111111 -0.1943 13 C -3.8378 0.2539 -0.1560 C.ar 1 UNL1111111111 -0.2237 14 H 3.0134 1.4238 -0.9667 H 1 UNL1111111111 0.2322 15 H 0.5324 1.6313 -1.0067 H 1 UNL1111111111 0.2329 16 H 1.0333 1.9385 0.7081 H 1 UNL1111111111 0.2820 17 H 2.5946 -0.7149 1.2781 H 1 UNL1111111111 0.2647 18 H 3.3056 0.9264 1.5599 H 1 UNL1111111111 0.3206 19 H -1.2126 2.3481 0.3400 H 1 UNL1111111111 0.1880 20 H -3.7537 -1.8949 -0.1755 H 1 UNL1111111111 0.2314 21 H -1.7489 -3.1937 0.0868 H 1 UNL1111111111 0.3192 22 H -0.3122 -2.4105 -0.5921 H 1 UNL1111111111 0.3208 23 H -0.5620 -2.4387 1.1593 H 1 UNL1111111111 0.3582 24 H -3.6511 2.3981 -0.0554 H 1 UNL1111111111 0.1828 25 H -4.9109 0.2809 -0.3300 H 1 UNL1111111111 0.1933 26 H 1.5976 -1.0016 -1.1646 H 1 UNL1111111111 0.3299 27 H 4.3718 -0.7899 -0.4067 H 1 UNL1111111111 0.3251 @BOND 1 1 5 1 2 1 6 1 3 2 4 1 4 2 26 1 5 3 7 1 6 3 27 1 7 4 5 1 8 4 7 1 9 4 14 1 10 5 15 1 11 5 16 1 12 6 8 ar 13 6 9 ar 14 7 17 1 15 7 18 1 16 8 10 ar 17 8 11 1 18 9 12 ar 19 9 19 1 20 10 13 ar 21 10 20 1 22 11 21 1 23 11 22 1 24 11 23 1 25 12 13 ar 26 12 24 1 27 13 25 1