mol 1 
atom 1 - C - - 0 2.15371 1.01697 -0.0118036 3 6 a 3 a 15 s
atom 2 - C - - 0 -0.544734 1.67497 0.0865532 3 7 a 4 a 16 s
atom 3 - C - - 0 1.76128 2.33761 0.0150944 3 1 a 4 a 17 s
atom 4 - C - - 0 0.416337 2.66625 0.0643519 3 2 a 3 a 18 s
atom 5 - C - - 0 -3.46645 -1.37668 0.133103 4 12 s 19 s 20 s 21 s
atom 6 - C - - 0 1.19163 0.00379318 0.0102001 3 7 a 1 a 11 s
atom 7 - C - - 0 -0.168069 0.340726 0.059582 3 6 a 2 a 13 s
atom 8 - O - - 0 0.764776 -2.28961 -0.00088582 1 11 d
atom 9 - O - - 0 -2.73306 0.824585 -0.277243 1 12 d
atom 10 - O - - 0 2.91249 -1.73094 -0.0667973 2 11 s 14 s
atom 11 - C - - 0 1.60432 -1.41147 -0.0193391 3 6 s 10 s 8 d
atom 12 - C - - 0 -2.41075 -0.314638 -0.0360333 3 13 s 5 s 9 d
atom 13 - O - - 0 -1.11159 -0.634458 0.0813521 2 7 s 12 s
atom 14 - H - - 0 3.18313 -2.65909 -0.0861697 1 10 s
atom 15 - H - - 0 3.20314 0.765393 -0.0543398 1 1 s
atom 16 - H - - 0 -1.59122 1.93922 0.124612 1 2 s
atom 17 - H - - 0 2.50557 3.12001 -0.00194281 1 3 s
atom 18 - H - - 0 0.117746 3.70395 0.0851539 1 4 s
atom 19 - H - - 0 -3.76236 -1.43125 1.18075 1 5 s
atom 20 - H - - 0 -4.33439 -1.12665 -0.477039 1 5 s
atom 21 - H - - 0 -3.0662 -2.3403 -0.182066 1 5 s
endmol 1