1    44  Propane (X-Ray Structure at 30 K)
2     1  C     -1.128994    5.653329   -1.953352     1     2     3     4     5
3     2  H     -2.070437    5.638825   -2.164423     5     1
4     3  H     -0.653693    5.391630   -2.748950     5     1
5     4  H     -0.865741    6.582203   -1.761253     5     1
6     5  C     -0.776901    4.734671   -0.780602     1     1     6     7     8
7     6  H     -1.293181    5.010748    0.011160     5     5
8     7  H      0.161827    4.830396   -0.559416     5     5
9     8  C     -1.093305    3.268274   -1.081584     1     5     9    10    11
10     9  H     -2.017849    3.132821   -1.250664     5     8
11    10  H     -0.610312    2.960036   -1.868672     5     8
12    11  H     -0.826408    2.683834   -0.328535     5     8
13    12  C     -0.867079   -0.652671   -1.534278     1    13    14    15    16
14    13  H      0.074364   -0.667175   -1.323207     5    12
15    14  H     -1.342380   -0.914370   -0.738680     5    12
16    15  H     -1.130332    0.276203   -1.726377     5    12
17    16  C     -1.219172   -1.571329   -2.707028     1    12    17    18    19
18    17  H     -0.702892   -1.295252   -3.498790     5    16
19    18  H     -2.157900   -1.475604   -2.928214     5    16
20    19  C     -0.902768   -3.037726   -2.406046     1    16    20    21    22
21    20  H      0.021776   -3.173179   -2.236966     5    19
22    21  H     -1.385761   -3.345964   -1.618958     5    19
23    22  H     -1.169665   -3.622166   -3.159095     5    19
24    23  C      1.128994   -5.653329    1.953352     1    24    25    26    27
25    24  H      2.070437   -5.638825    2.164423     5    23
26    25  H      0.653693   -5.391630    2.748950     5    23
27    26  H      0.865741   -6.582203    1.761253     5    23
28    27  C      0.776901   -4.734671    0.780602     1    23    28    29    30
29    28  H      1.293181   -5.010748   -0.011160     5    27
30    29  H     -0.161827   -4.830396    0.559416     5    27
31    30  C      1.093305   -3.268274    1.081584     1    27    31    32    33
32    31  H      2.017849   -3.132821    1.250664     5    30
33    32  H      0.610312   -2.960036    1.868672     5    30
34    33  H      0.826408   -2.683834    0.328535     5    30
35    34  C      0.867079    0.652671    1.534278     1    35    36    37    38
36    35  H     -0.074364    0.667175    1.323207     5    34
37    36  H      1.342380    0.914370    0.738680     5    34
38    37  H      1.130332   -0.276203    1.726377     5    34
39    38  C      1.219172    1.571329    2.707028     1    34    39    40    41
40    39  H      0.702892    1.295252    3.498790     5    38
41    40  H      2.157900    1.475604    2.928214     5    38
42    41  C      0.902768    3.037726    2.406046     1    38    42    43    44
43    42  H     -0.021776    3.173179    2.236966     5    41
44    43  H      1.385761    3.345964    1.618958     5    41
45    44  H      1.169665    3.622166    3.159095     5    41
46