XYZ molecule file format

Example

47
Energy =     -20.32 kcal/mol
H   -1.14937  -3.04328  -3.67266 
C   -0.34354  -2.64179  -3.04915 
C    1.70961  -1.65418  -1.47979 
C   -0.60766  -1.56214  -2.20086 
C    0.92269  -3.21090  -3.10934 
C    1.96759  -2.72261  -2.32098 
C    0.42293  -1.07194  -1.42089 
H   -1.60973  -1.12145  -2.15064 
H    1.10566  -4.05612  -3.78129 
H    2.96477  -3.17298  -2.36242 
H    1.83912   1.62859   1.58965 
C    2.58144  -0.95071  -0.54135 
C    3.75749   0.63359   1.39456 
C    1.83367   0.06956   0.09322 
C    3.90949  -1.16740  -0.21924 
C    4.49358  -0.35755   0.75785 
C    2.41546   0.85640   1.06981 
H    4.22900   1.24681   2.16992 
H    4.48209  -1.95974  -0.71231 
H    5.54258  -0.51492   1.03005 
C    0.41263   0.08890  -0.44036 
C   -0.00556   1.40901  -1.16296 
C   -0.63464  -0.05891   0.64344 
C   -1.47378   0.99799   0.68064 
C   -0.68372  -1.24894   1.52606 
C   -2.59805   1.24208   1.62903 
N   -1.23204   3.29961  -0.01051 
H   -0.42261   1.15524  -2.17274 
N   -1.18662   1.95036  -0.37375 
C    1.08189   2.40346  -1.37512 
C   -0.30043   4.12637  -0.38410 
C    0.91564   3.69413  -1.05765 
H    2.00908   2.02137  -1.81810 
H   -0.45447   5.18029  -0.12432 
H    1.68550   4.44722  -1.25358 
O    0.15946  -1.63921   2.30422 
O   -1.85645  -1.94582   1.38988 
O   -2.50683   1.63964   2.76815 
O   -3.90254   1.00262   1.31638 
C   -2.05174  -3.09560   2.18550 
C   -4.22748   0.53549   0.02760 
H   -3.61380  -0.32008  -0.27896 
H   -4.14453   1.33657  -0.71435 
H   -5.27210   0.23153   0.13488 
H   -1.99335  -2.87058   3.25594 
H   -1.33502  -3.88407   1.93295 
H   -3.06617  -3.39783   1.91314