56 MOL stearic acid                                      0
   1   2  10.8396   0.3202   0.0835 C1 
   2   9  10.9188   1.4951   0.3667 O2 
   3   8  11.9388  -0.4543  -0.1144 O3 
   4  13  12.7066   0.1322   0.0217 H4 
   5   1   9.5633  -0.4736  -0.0930 C5 
   6  13   9.5820  -1.2989   0.6323 H6 
   7  13   9.5999  -0.9540  -1.0800 H7 
   8   1   8.2983   0.3721   0.0684 C8 
   9  13   8.3096   1.1842  -0.6696 H9 
  10  13   8.3151   0.8603   1.0506 H10 
  11   1   7.0147  -0.4533  -0.0840 C11 
  12  13   7.0075  -1.2619   0.6624 H12 
  13  13   7.0102  -0.9487  -1.0666 H13 
  14   1   5.7389   0.3852   0.0652 C14 
  15  13   5.7395   1.1843  -0.6909 H15 
  16  13   5.7499   0.8922   1.0413 H16 
  17   1   4.4505  -0.4368  -0.0641 C17 
  18  13   4.4410  -1.2205   0.7085 H18 
  19  13   4.4504  -0.9643  -1.0297 H19 
  20   1   3.1749   0.4070   0.0501 C20 
  21  13   3.1688   1.1635  -0.7493 H21 
  22  13   3.1927   0.9679   0.9963 H22 
  23   1   1.8856  -0.4208  -0.0203 C23 
  24  13   1.8653  -1.1295   0.8215 H24 
  25  13   1.8957  -1.0357  -0.9327 H25 
  26   1   0.6098   0.4307  -0.0032 C26 
  27  13   0.5967   1.0770  -0.8936 H27 
  28  13   0.6336   1.1094   0.8626 H28 
  29   1  -0.6795  -0.3988   0.0437 C29 
  30  13  -0.6991  -0.9824   0.9762 H30 
  31  13  -0.6713  -1.1360  -0.7736 H31 
  32   1  -1.9556   0.4464  -0.0540 C32 
  33  13  -1.9576   0.9887  -1.0113 H33 
  34  13  -1.9447   1.2184   0.7303 H34 
  35   1  -3.2442  -0.3768   0.0657 C35 
  36  13  -3.2552  -0.8927   1.0375 H36 
  37  13  -3.2423  -1.1698  -0.6973 H37 
  38   1  -4.5212   0.4604  -0.0783 C38 
  39  13  -4.5181   0.9614  -1.0578 H39 
  40  13  -4.5163   1.2645   0.6728 H40 
  41   1  -5.8087  -0.3605   0.0672 C41 
  42  13  -5.8152  -0.8536   1.0508 H42 
  43  13  -5.8094  -1.1706  -0.6773 H43 
  44   1  -7.0871   0.4727  -0.0898 C44 
  45  13  -7.0830   0.9619  -1.0753 H45 
  46  13  -7.0845   1.2856   0.6518 H46 
  47   1  -8.3736  -0.3486   0.0630 C47 
  48  13  -8.3774  -0.8380   1.0486 H48 
  49  13  -8.3759  -1.1619  -0.6783 H49 
  50   1  -9.6540   0.4821  -0.0930 C50 
  51  13  -9.6513   0.9708  -1.0779 H51 
  52  13  -9.6502   1.2939   0.6484 H52 
  53   1 -10.9329  -0.3480   0.0618 C53 
  54  13 -11.8306   0.2706  -0.0528 H54 
  55  13 -10.9795  -0.8233   1.0495 H55 
  56  13 -10.9794  -1.1454  -0.6904 H56 
  55 MOL
   1   1   2            2
   2   1   3            1
   3   3   4            1
   4   5   6            1
   5   5   7            1
   6   1   5            1
   7   8   9            1
   8   8  10            1
   9   5   8            1
  10  11  12            1
  11  11  13            1
  12   8  11            1
  13  14  15            1
  14  14  16            1
  15  11  14            1
  16  17  18            1
  17  17  19            1
  18  14  17            1
  19  20  21            1
  20  20  22            1
  21  17  20            1
  22  23  24            1
  23  23  25            1
  24  20  23            1
  25  26  27            1
  26  26  28            1
  27  23  26            1
  28  29  30            1
  29  29  31            1
  30  26  29            1
  31  32  33            1
  32  32  34            1
  33  29  32            1
  34  35  36            1
  35  35  37            1
  36  32  35            1
  37  38  39            1
  38  38  40            1
  39  35  38            1
  40  41  42            1
  41  41  43            1
  42  38  41            1
  43  44  45            1
  44  44  46            1
  45  41  44            1
  46  47  48            1
  47  47  49            1
  48  44  47            1
  49  50  51            1
  50  50  52            1
  51  47  50            1
  52  53  54            1
  53  53  55            1
  54  53  56            1
  55  50  53            1
   0 MOL