@MOLECULE 5,5-dimethyl-2-phenyl-1,3-dioxane 30 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.7565 -0.8545 0.0020 C.ar 1 UNL111111111 -0.2093 2 C -2.4273 -1.2708 0.0029 C.ar 1 UNL111111111 -0.2745 3 C -1.4092 -0.3178 0.0011 C.ar 1 UNL111111111 0.3727 4 C -1.7096 1.0432 -0.0039 C.ar 1 UNL111111111 -0.2301 5 C -3.0416 1.4548 -0.0049 C.ar 1 UNL111111111 -0.2395 6 C -4.0628 0.5064 -0.0014 C.ar 1 UNL111111111 -0.1803 7 C 0.0258 -0.7622 0.0058 C.3 1 UNL111111111 -0.5746 8 O 0.6034 -0.1867 1.1622 O.3 1 UNL111111111 0.0024 9 C 1.9979 -0.4097 1.2483 C.3 1 UNL111111111 -0.7007 10 C 2.7221 0.1328 -0.0009 C.3 1 UNL111111111 0.7977 11 C 1.9987 -0.4330 -1.2403 C.3 1 UNL111111111 -0.6483 12 O 0.6044 -0.2080 -1.1604 O.3 1 UNL111111111 -0.0580 13 C 4.1777 -0.3392 0.0042 C.3 1 UNL111111111 -0.9997 14 C 2.6494 1.6601 -0.0152 C.3 1 UNL111111111 -0.9704 15 H -4.5552 -1.5927 0.0040 H 1 UNL111111111 0.2075 16 H -2.1882 -2.3316 0.0058 H 1 UNL111111111 0.2211 17 H -0.8991 1.7731 -0.0057 H 1 UNL111111111 0.2032 18 H -3.2819 2.5156 -0.0085 H 1 UNL111111111 0.1896 19 H -5.1023 0.8275 -0.0009 H 1 UNL111111111 0.1847 20 H 0.1823 -1.8621 0.0158 H 1 UNL111111111 0.3120 21 H 2.2722 0.1445 2.1642 H 1 UNL111111111 0.2828 22 H 2.1850 -1.4858 1.4045 H 1 UNL111111111 0.2580 23 H 2.2741 0.1034 -2.1662 H 1 UNL111111111 0.2497 24 H 2.1855 -1.5120 -1.3745 H 1 UNL111111111 0.2410 25 H 4.7166 0.0216 -0.8797 H 1 UNL111111111 0.2502 26 H 4.2546 -1.4318 0.0132 H 1 UNL111111111 0.2714 27 H 4.7162 0.0352 0.8828 H 1 UNL111111111 0.2712 28 H 3.1313 2.0839 -0.9020 H 1 UNL111111111 0.2358 29 H 1.5988 1.9892 -0.0209 H 1 UNL111111111 0.2809 30 H 3.1264 2.1000 0.8662 H 1 UNL111111111 0.2535 @BOND 1 23 11 1 2 24 11 1 3 11 12 1 4 11 10 1 5 12 7 1 6 28 14 1 7 25 13 1 8 29 14 1 9 14 10 1 10 14 30 1 11 18 5 1 12 17 4 1 13 5 4 ar 14 5 6 ar 15 4 3 ar 16 6 19 1 17 6 1 ar 18 10 13 1 19 10 9 1 20 3 2 ar 21 3 7 1 22 1 2 ar 23 1 15 1 24 2 16 1 25 13 26 1 26 13 27 1 27 7 20 1 28 7 8 1 29 8 9 1 30 9 22 1 31 9 21 1