* LIGAND DATABASE FILE (OPLS2005)
*
001     114   115    205    296     593
    1     0 S   NP   _N1_     1    31.70637   101.62574   -14.44159
    2     1 S   H    _HN1     2     1.02802    85.31182  -126.36959
    3     1 S   H    _H1_     3     1.02950    36.59684     3.28956
    4     1 S   H    _H2_     4     1.02834    88.33604   125.59945
    5     1 S   CT   _CA1     5     1.50120   147.00930    -1.82585
    6     5 S   HC   _HA1     6     1.09587   105.17813  -178.69284
    7     5 S   CO3  _C1_     7     1.53758   112.23292    61.26942
    8     7 S   O2Z  _O11     8     1.26326   115.14664   -49.38494
    9     7 S   O2Z  _O12     9     1.26276   114.88101   129.58846
   10     5 S   CT   _CB1    10     1.53069   107.35696   -61.01345
   11    10 S   HC   HB11    11     1.09835   109.27644   -51.08053
   12    10 S   HC   HB12    12     1.09808   110.53042    65.48274
   13    10 S   CT   _CG1    13     1.52968   112.60328  -172.08076
   14    13 S   HC   HG11    14     1.09506   110.45129   -66.89231
   15    13 S   HC   HG12    15     1.09661   109.86462    52.35383
   16    13 S   C    _CD1    16     1.51801   112.16636   172.97418
   17    16 S   O    _OE1    17     1.22754   123.19217     8.70983
   18    16 S   N    _N2_    18     1.38577   111.76118  -171.42804
   19    18 S   H    _HN2    19     1.01676   119.05147     1.04361
   20    18 S   CT1  _CA2    20     1.46351   123.53389   177.84106
   21    20 S   HC   _HA2    21     1.09752   109.21183     5.11428
   22    20 S   C    _C2_    22     1.53614   109.51159  -110.20090
   23    22 S   O    _O2_    23     1.23076   122.13233  -154.54352
   24    20 S   CT   _CB2    32     1.53374   110.86336   126.89987
   25    24 S   HC   HB21    33     1.09165   108.93476    53.48211
   26    24 S   HC   HB22    34     1.09468   111.06404   172.14357
   27    22 S   N    _N3_    24     1.38335   113.92398    33.54337
   28    27 S   H    _HN3    25     1.01547   119.50005    -5.04411
   29    24 S   S    _SG2    35     1.83170   110.43768   -68.88794
   30    27 S   CT   _CA3    26     1.45266   123.24790   176.68654
   31    30 S   HC   HA31    27     1.09556   107.75263   -57.89626
   32    30 S   HC   HA32    28     1.09553   107.72079    58.51166
   33    29 S   CT   _C22    36     1.88489   102.08856   147.76583
   34    30 S   CO3  _C3_    29     1.52970   114.09668  -179.76179
   35    34 S   O2Z  _O31    30     1.26385   116.10933    -2.42471
   36    34 S   O2Z  _O32    31     1.26445   114.42981   177.54425
   37    33 S   CM   _C23    37     1.52603   109.34761   -64.09922
   38    33 S   OS   _O35   110     1.43521   107.04150   177.65690
   39    37 S   CMA  _C24    38     1.36221   122.36910   116.12566
   40    39 S   OM   _O34    39     1.26373   128.84057  -179.95577
   41    37 S   CT   _C25    73     1.54044   116.71562   -58.66659
   42    41 S   HC   _H19    74     1.09722   109.93439     1.79439
   43    41 S   HC   _H20    75     1.09904   105.74614   114.13551
   44    38 S   CT   _C26   111     1.42266   115.98981  -160.46587
   45    44 S   HC   _H21   112     1.09365   107.94810  -164.58399
   46    44 S   HC   _H22   113     1.09330   110.54776    77.97182
   47    44 S   HC   _H23   114     1.09355   111.98689   -45.16254
   48    39 S   CM   _C19    40     1.49653   119.45321    -2.83462
   49    48 S   CM   _C20    41     1.34215   122.84421     6.26504
   50    49 S   HC   _H18    42     1.08438   121.52877   178.87221
   51    48 S   NI   _N4_    45     1.38827   117.09147  -174.12707
   52    33 S   CO4  _C21    43     1.53905   105.12996    60.01274
   53    52 S   O    _O36    44     1.23249   122.66740    63.62259
   54    51 S   CD   _C18    46     1.30899   117.77012   101.97008
   55    54 S   OM   _O33    47     1.24816   135.75902     8.35306
   56    54 S   CM   _C17    48     1.50768   117.91895  -167.58740
   57    56 S   CM   _C16    49     1.34900   113.33790    60.82062
   58    57 S   HC   _H17    50     1.08800   117.63004     1.14603
   59    56 S   CT   _C27   106     1.49937   119.26166  -116.67550
   60    59 S   HC   _H24   107     1.09460   110.77223   -83.36467
   61    59 S   HC   _H25   108     1.09402   112.15490   155.65142
   62    59 S   HC   _H26   109     1.09556   110.47101    36.81140
   63    57 S   CM   _C15    51     1.44559   127.27328   177.69667
   64    63 S   HC   _H16    52     1.08690   116.97390   -10.53273
   65    63 S   CM   _C14    53     1.34435   125.42552   171.89458
   66    65 S   HC   _H15    54     1.08927   117.03718   177.29419
   67    65 S   CT   _C13    55     1.51566   127.63073    -5.21564
   68    67 S   HC   _H8_    56     1.09619   111.33283   -14.09266
   69    67 S   CT   _C12    57     1.55408   111.09621   106.63302
   70    69 S   HC   _H7_    58     1.09935   107.26401   -48.06899
   71    67 S   OS   _O37   101     1.43795   107.85754  -133.25618
   72    69 S   CM   _C11    59     1.53155   112.29082  -168.48996
   73    69 S   OS   _O38    95     1.44787   109.10774    69.55054
   74    71 S   CT   _C28   102     1.42305   112.92230    84.52652
   75    74 S   HC   _H27   103     1.09331   108.17084  -179.52605
   76    74 S   HC   _H28   104     1.09426   110.40957    61.95970
   77    74 S   HC   _H29   105     1.09379   111.03147   -60.57683
   78    72 S   CM   _C10    60     1.35049   119.87842   114.15432
   79    78 S   HC   _H14    61     1.09023   117.99350     2.30053
   80    72 S   CT   _C30    91     1.50591   117.01711   -65.61249
   81    80 S   HC   _H32    92     1.09472   111.05004   -37.45973
   82    80 S   HC   _H33    93     1.09363   112.57260  -155.81282
   83    80 S   HC   _H34    94     1.09400   110.45407    82.98018
   84    73 S   CO4  _C29    96     1.36060   117.73883  -152.47065
   85    84 S   O    _O39    97     1.22486   125.92299     0.09065
   86    78 S   CT   _C9_    62     1.52104   127.39383  -174.10219
   87    86 S   HC   _H6_    63     1.09430   108.91070    11.76375
   88    84 S   N    _N5_    98     1.36900   110.06067  -179.90309
   89    88 S   H    _H30    99     1.01317   121.01660   179.94405
   90    88 S   H    _H31   100     1.01324   120.98297     0.10835
   91    86 S   CT   _C8_    64     1.55582   109.32907   129.04031
   92    91 S   HC   _H5_    65     1.09152   106.65506   -40.76936
   93    86 S   CT   _C31    87     1.52929   109.57812  -106.10567
   94    93 S   HC   _H35    88     1.09552   112.06791   -58.35534
   95    93 S   HC   _H36    89     1.09440   111.03962  -179.43214
   96    93 S   HC   _H37    90     1.09608   110.60560    61.41026
   97    91 S   CT   _C7_    66     1.54924   114.16959  -159.96083
   98    97 S   HC   _H4_    67     1.09747   108.30706   -61.64666
   99    91 S   OH   _O40    85     1.42762   110.43267    75.15232
  100    99 S   HO   _H38    86     0.97561   108.01966    77.81918
  101    97 S   CT   _C6_    68     1.55099   112.87176   179.25954
  102   101 S   HC   _H12    69     1.09646   108.22928   176.34494
  103   101 S   HC   _H13    70     1.09650   108.77870    62.67159
  104    97 S   OS   _O41    80     1.43369   108.17817    57.05938
  105   101 S   CT   _C5_    71     1.55751   114.41916   -61.62160
  106   105 S   HC   _H3_    72     1.09251   109.22578    -5.04213
  107   104 S   CT   _C32    81     1.42054   113.56738  -154.72102
  108   107 S   HC   _H39    82     1.09344   108.12431   177.69437
  109   107 S   HC   _H40    83     1.09419   110.53016    59.23000
  110   107 S   HC   _H41    84     1.09273   111.25392   -63.58776
  111   105 S   CT   _C4_    76     1.53061   110.20070  -121.09993
  112   111 S   HC   _H9_    77     1.09493   111.58194   -66.62653
  113   111 S   HC   _H10    78     1.09172   110.79869   172.33663
  114   111 S   HC   _H11    79     1.09543   110.74749    53.80692
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   2   1   1  16   9  11   4  14   5   4   4   2   1   1   8
   5   3   6   1   1   9   3   9  10   4   4   2   1   1   7   3
   9   4  13   6  15   6   6  12   7   3   2   1   1  15   5   4
   2   1   1   4   3  13   8   2   1   1  15   7   5   2   1   1
  14   7   3   1  10   5   4   5   5   4   3   2   1   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    49    52    53    41    38    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    48    49    50    52    53   105    41    42    43    38    44    45    46    47  
   35    36  
   36  
    0  
   39    40    48    49    52    53    51   101   105   106    41    42    43   111    38    44  
   44    45    46    47    39    41    49    52    53  
   40    48    49    50    52    51    54   105    41    42    43  
   48    49    51    41  
   42    43   111   112   113   114    48    52    97   101   102   103   105   106  
   43   111   101   105   106  
  111   101   105   106  
   45    46    47    52  
   46    47  
   47  
    0  
   49    50    52    53    51    54    55    56  
   50    52    53    51    54  
   52    53    51  
   54    55    56    57    59    52  
   53  
    0  
   55    56    57    58    63    59    60    61    62  
   56    57    59  
   57    58    63    64    65    59    60    61    62  
   58    63    64    65    66    67    59    60    61    62  
   63    64    65    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    68    69    71  
   65    66    67  
   66    67    68    69    70    72    73    71    74  
   67    68    69    71  
   68    69    70    72    78    80    73    84    71    74    75    76    77  
   69    70    72    73    71    74  
   70    72    78    79    86    80    81    82    83    73    84    85    88    71    74  
   72    78    80    73    84    71  
   74    75    76    77    72    73  
   78    79    86    87    91    93    80    81    82    83    73    84  
   84    85    88    89    90    78    80  
   75    76    77  
   76    77  
   77  
    0  
   79    86    87    91    92    97    99    93    94    95    96    80    81    82    83  
   86    87    91    93    80  
   81    82    83    86  
   82    83  
   83  
    0  
   85    88    89    90  
   88    89    90  
   87    91    92    97    98   101   104    99   100    93    94    95    96  
   91    92    97    99    93    94    95    96  
   89    90  
   90  
    0  
   92    97    98   101   102   103   105   104   107    99   100    93    94    95    96  
   97    98   101   104    99   100    93  
   94    95    96    97    99  
   95    96  
   96  
    0  
   98   101   102   103   105   106   111   104   107   108   109   110    99   100  
  101   102   103   105   104   107    99  
  100   101   104  
    0  
  102   103   105   106   111   112   113   114   104   107  
  103   105   106   111   104  
  105   106   111   104  
  107   108   109   110   105  
  106   111   112   113   114  
  111   112   113   114  
  108   109   110  
  109   110  
  110  
    0  
  112   113   114  
  113   114  
  114  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.465900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2800   0.1700  -0.912200   1.8540   1.6400   0.005000000   0.000000000
   52   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.7500   0.1050   0.478000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
   56   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   89   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   90   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   91   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
  105   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    52   317.000  1.522
   33    38   320.000  1.410
   37    39   465.000  1.376
   37    41   317.000  1.510
   39    40   745.000  1.250
   39    48   465.000  1.376
   48    49   549.000  1.340
   48    51   405.000  1.380
   49    50   340.000  1.080
   49    52   320.000  1.462
   52    53   570.000  1.229
   51    54   500.000  1.261
   54    55   795.000  1.237
   54    56   320.000  1.464
   56    57   549.000  1.340
   56    59   317.000  1.510
   57    58   340.000  1.080
   57    63   380.000  1.444
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   340.000  1.080
   65    67   317.000  1.510
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   320.000  1.410
   69    70   340.000  1.090
   69    72   317.000  1.510
   69    73   320.000  1.410
   72    78   549.000  1.340
   72    80   317.000  1.510
   78    79   340.000  1.080
   78    86   317.000  1.510
   86    87   340.000  1.090
   86    91   268.000  1.529
   86    93   268.000  1.529
   91    92   340.000  1.090
   91    97   268.000  1.529
   91    99   320.000  1.410
   97    98   340.000  1.090
   97   101   268.000  1.529
   97   104   320.000  1.410
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   105   268.000  1.529
  105   106   340.000  1.090
  105    41   268.000  1.529
  105   111   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
  104   107   320.000  1.410
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   99   100   553.000  0.945
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   73    84   214.000  1.327
   84    85   570.000  1.229
   84    88   435.000  1.380
   88    89   434.000  1.010
   88    90   434.000  1.010
   71    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   38    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    52    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    39    70.00000  124.00000
   33    37    41    65.00000  117.92700
   33    52    49    65.00000  118.62400
   33    52    53    80.00000  120.40000
   33    38    44    60.00000  109.50000
   37    39    40    65.00000  137.10300
   37    39    48    70.00000  123.01800
   37    41   105    70.00000  112.02700
   37    41    42    35.00000  109.50000
   37    41    43    35.00000  109.50000
   39    48    49    70.00000  117.34000
   39    48    51    70.00000  120.83400
   48    39    40    65.00000  137.10300
   48    49    50    35.00000  120.00000
   48    49    52    65.00000  118.96000
   48    51    54    75.00000  115.77100
   49    52    53    80.00000  123.72100
   52    33    37    70.00000  109.06800
   52    49    50    40.00000  117.72500
   51    48    49    70.00000  120.83400
   51    54    55    75.00000  134.47000
   51    54    56    70.00000  121.86000
   54    56    57    60.00000  120.31500
   54    56    59    65.00000  117.22000
   56    54    55    90.00000  107.08000
   56    57    58    35.00000  120.00000
   56    57    63    70.00000  123.01800
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    35.00000  109.50000
   57    63    64    35.00000  120.00000
   57    63    65    70.00000  123.01800
   63    57    58    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    70.00000  112.02700
   65    67    71    85.00000  110.90400
   67    65    66    35.00000  117.00000
   67    69    70    37.50000  110.70000
   67    69    72    70.00000  112.02700
   67    69    73    50.00000  109.50000
   67    71    74    60.00000  109.50000
   69    67    68    37.50000  110.70000
   69    72    78    70.00000  124.00000
   69    72    80    65.00000  117.92700
   69    73    84    83.00000  116.90000
   72    69    70    35.00000  109.50000
   72    78    79    35.00000  120.00000
   72    78    86    70.00000  124.00000
   72    80    81    35.00000  109.50000
   72    80    82    35.00000  109.50000
   72    80    83    35.00000  109.50000
   78    86    87    35.00000  109.50000
   78    86    91    70.00000  112.02700
   78    86    93    70.00000  112.02700
   86    78    79    35.00000  117.00000
   86    91    92    37.50000  110.70000
   86    91    97    58.35000  112.70000
   86    91    99    50.00000  109.50000
   86    93    94    37.50000  110.70000
   86    93    95    37.50000  110.70000
   86    93    96    37.50000  110.70000
   91    86    87    37.50000  110.70000
   91    97    98    37.50000  110.70000
   91    97   101    58.35000  112.70000
   91    97   104    50.00000  109.50000
   91    99   100    55.00000  108.50000
   97    91    92    37.50000  110.70000
   97   101   102    37.50000  110.70000
   97   101   103    37.50000  110.70000
   97   101   105    58.35000  112.70000
   97   104   107    60.00000  109.50000
  101    97    98    37.50000  110.70000
  101   105   106    37.50000  110.70000
  101   105    41    58.35000  112.70000
  101   105   111    58.35000  112.70000
  103   101   102    33.00000  107.80000
  105   101   102    37.50000  110.70000
  105   101   103    37.50000  110.70000
  105    41    42    37.50000  110.70000
  105    41    43    37.50000  110.70000
  105   111   112    37.50000  110.70000
  105   111   113    37.50000  110.70000
  105   111   114    37.50000  110.70000
   41    37    39    70.00000  124.00000
   41   105   106    37.50000  110.70000
   43    41    42    33.00000  107.80000
  111   105   106    37.50000  110.70000
  111   105    41    58.35000  112.70000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
  104    97    98    35.00000  109.50000
  104    97   101    50.00000  109.50000
  104   107   108    35.00000  109.50000
  104   107   109    35.00000  109.50000
  104   107   110    35.00000  109.50000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   99    91    92    35.00000  109.50000
   99    91    97    50.00000  109.50000
   93    86    87    37.50000  110.70000
   93    86    91    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   80    72    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    72    85.00000  110.90400
   73    84    85    83.00000  123.40000
   73    84    88   110.00000  108.75700
   84    88    89    50.00000  116.34900
   84    88    90    50.00000  116.34900
   88    84    85    85.00000  125.96000
   90    88    89    35.00000  120.00000
   71    67    68    35.00000  109.50000
   71    67    69    50.00000  109.50000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   59    56    57    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   38    33    37    85.00000  110.90400
   38    33    52    90.00000  108.74100
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    39   0.42700  1.0 1.0
   29    33    37    39  -0.70350 -1.0 2.0
   29    33    37    39  -0.43150  1.0 3.0
   29    33    37    41   0.30250  1.0 1.0
   29    33    37    41  -0.14950 -1.0 2.0
   29    33    37    41   0.36900  1.0 3.0
   29    33    52    49   0.65300  1.0 1.0
   29    33    52    49  -0.03850 -1.0 2.0
   29    33    52    49   0.33900  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   29    33    38    44   0.14700  1.0 1.0
   29    33    38    44  -1.16150 -1.0 2.0
   29    33    38    44   0.48700  1.0 3.0
   33    37    39    40   7.00000 -1.0 2.0
   33    37    39    48   7.00000 -1.0 2.0
   33    37    41   105   0.46850  1.0 1.0
   33    37    41   105   0.08550 -1.0 2.0
   33    37    41   105   0.09800  1.0 3.0
   33    37    41    42   0.34800  1.0 3.0
   33    37    41    43   0.34800  1.0 3.0
   33    38    44    45   0.37050  1.0 3.0
   33    38    44    46   0.37050  1.0 3.0
   33    38    44    47   0.37050  1.0 3.0
   37    33    52    49   0.65300  1.0 1.0
   37    33    52    49  -0.03850 -1.0 2.0
   37    33    52    49   0.33900  1.0 3.0
   37    33    52    53   0.30150 -1.0 2.0
   37    33    38    44  -0.77900  1.0 1.0
   37    33    38    44  -0.36900 -1.0 2.0
   37    33    38    44   0.40400  1.0 3.0
   37    39   -48    49   7.00000 -1.0 2.0
   37    39    48    51   7.00000 -1.0 2.0
   39    37    41   105   0.09850  1.0 1.0
   39    37    41   105   0.15250 -1.0 2.0
   39    37    41   105  -0.50650  1.0 3.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    43   0.00000  1.0 1.0
   39    48    49    50   7.00000 -1.0 2.0
   39    48    49    52   7.00000 -1.0 2.0
   39    48    51    54   1.00000 -1.0 2.0
   40    39    48    49   7.00000 -1.0 2.0
   40    39    48    51   7.00000 -1.0 2.0
   48    49   -52    33  -0.33500  1.0 1.0
   48    49   -52    33   1.06600 -1.0 2.0
   48    49   -52    33  -0.14000  1.0 3.0
   48    49    52    53   1.00000 -1.0 2.0
   48    51    54    55   6.00000 -1.0 2.0
   48    51    54    56   6.00000 -1.0 2.0
   49    48    51    54   1.00000 -1.0 2.0
   50    49    52    33   0.04550  1.0 1.0
   50    49    52    33   0.83000 -1.0 2.0
   50    49    52    33  -0.04000  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   52    33   -37    39  -0.51250  1.0 1.0
   52    33   -37    39  -0.88800 -1.0 2.0
   52    33   -37    39   0.08850  1.0 3.0
   52    33    37    41   0.17250  1.0 1.0
   52    33    37    41  -0.04100 -1.0 2.0
   52    33    37    41  -0.33850  1.0 3.0
   52    33    38    44  -1.11000  1.0 1.0
   52    33    38    44   0.50250 -1.0 2.0
   52    33    38    44   0.47450  1.0 3.0
   51    48    49    50   7.00000 -1.0 2.0
   51    48    49    52   7.00000 -1.0 2.0
   51    54    56    57   1.09650  1.0 1.0
   51    54    56    57   0.48950 -1.0 2.0
   51    54    56    57   0.49400  1.0 3.0
   51    54    56    59   7.00000 -1.0 2.0
   54    56    57    58   7.00000 -1.0 2.0
   54    56    57    63   7.00000 -1.0 2.0
   54    56    59    60   0.00000  1.0 1.0
   54    56    59    61   0.00000  1.0 1.0
   54    56    59    62   0.00000  1.0 1.0
   55    54    56    57   1.09700  1.0 1.0
   55    54    56    57   0.56350 -1.0 2.0
   55    54    56    57   0.49350  1.0 3.0
   55    54    56    59   7.00000 -1.0 2.0
   56    57    63    64  -0.18600  1.0 3.0
   56    57    63    65   0.28850  1.0 1.0
   56    57    63    65   2.61350 -1.0 2.0
   56    57    63    65   0.78400  1.0 3.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   57    56    59    62   0.00000  1.0 1.0
   57    63    65    66   7.00000 -1.0 2.0
   57    63    65    67   7.00000 -1.0 2.0
   58    57    63    64   0.00000  1.0 1.0
   58    57    63    65  -0.18600  1.0 3.0
   63    65    67    68   0.00000  1.0 1.0
   63    65    67    69   0.09850  1.0 1.0
   63    65    67    69   0.15250 -1.0 2.0
   63    65    67    69  -0.50650  1.0 3.0
   63    65    67    71   0.39000  1.0 1.0
   63    65    67    71  -0.05800 -1.0 2.0
   63    65    67    71  -0.55150  1.0 3.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    67   7.00000 -1.0 2.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    72   0.31000  1.0 1.0
   65    67    69    72   0.14700 -1.0 2.0
   65    67    69    72   0.07550  1.0 3.0
   65    67    69    73   0.61850  1.0 1.0
   65    67    69    73  -0.22750 -1.0 2.0
   65    67    69    73   0.15300  1.0 3.0
   65    67    71    74  -0.77900  1.0 1.0
   65    67    71    74  -0.36900 -1.0 2.0
   65    67    71    74   0.40400  1.0 3.0
   66    65    67    68   0.33100  1.0 3.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    71   0.00000  1.0 1.0
   67    69    72    78   0.09850  1.0 1.0
   67    69    72    78   0.15250 -1.0 2.0
   67    69    72    78  -0.50650  1.0 3.0
   67    69    72    80   0.46850  1.0 1.0
   67    69    72    80   0.08550 -1.0 2.0
   67    69    72    80   0.09800  1.0 3.0
   67    69    73    84  -0.25900  1.0 1.0
   67    69    73    84  -0.47000 -1.0 2.0
   67    69    73    84   0.11750  1.0 3.0
   67    71    74    75   0.37050  1.0 3.0
   67    71    74    76   0.37050  1.0 3.0
   67    71    74    77   0.37050  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   68    67    69    73   0.23400  1.0 3.0
   68    67    71    74   0.37050  1.0 3.0
   69    67    71    74   0.06250  1.0 1.0
   69    67    71    74  -0.01100 -1.0 2.0
   69    67    71    74   0.28050  1.0 3.0
   69    72    78    79   7.00000 -1.0 2.0
   69    72    78    86   7.00000 -1.0 2.0
   69    72    80    81   0.34800  1.0 3.0
   69    72    80    82   0.34800  1.0 3.0
   69    72    80    83   0.34800  1.0 3.0
   69    73    84    85   3.00000 -1.0 2.0
   69    73    84    88  -0.80800  1.0 1.0
   69    73    84    88   2.06850 -1.0 2.0
   70    69    72    78   0.00000  1.0 1.0
   70    69    72    80   0.34800  1.0 3.0
   70    69    73    84   0.08050  1.0 3.0
   72    69    73    84  -0.82050  1.0 1.0
   72    69    73    84   0.00600 -1.0 2.0
   72    69    73    84   0.04400  1.0 3.0
   72    78    86    87   0.00000  1.0 1.0
   72    78    86    91   0.09850  1.0 1.0
   72    78    86    91   0.15250 -1.0 2.0
   72    78    86    91  -0.50650  1.0 3.0
   72    78    86    93   0.09850  1.0 1.0
   72    78    86    93   0.15250 -1.0 2.0
   72    78    86    93  -0.50650  1.0 3.0
   78    72    80    81   0.00000  1.0 1.0
   78    72    80    82   0.00000  1.0 1.0
   78    72    80    83   0.00000  1.0 1.0
   78    86    91    92   0.15000  1.0 3.0
   78    86    91    97   0.34400  1.0 1.0
   78    86    91    97   0.09450 -1.0 2.0
   78    86    91    97   0.11100  1.0 3.0
   78    86    91    99   1.05650  1.0 1.0
   78    86    91    99   0.15600 -1.0 2.0
   78    86    91    99   0.53150  1.0 3.0
   78    86    93    94   0.15000  1.0 3.0
   78    86    93    95   0.15000  1.0 3.0
   78    86    93    96   0.15000  1.0 3.0
   79    78    86    87   0.33100  1.0 3.0
   79    78    86    91   0.00000  1.0 1.0
   79    78    86    93   0.00000  1.0 1.0
   86    91    97    98   0.15000  1.0 3.0
   86    91    97   101   0.56750  1.0 1.0
   86    91    97   101  -0.07550 -1.0 2.0
   86    91    97   101   0.20000  1.0 3.0
   86    91    97   104   0.62750  1.0 1.0
   86    91    97   104  -0.30950 -1.0 2.0
   86    91    97   104   0.27300  1.0 3.0
   86    91    99   100  -0.11600  1.0 1.0
   86    91    99   100  -0.09450 -1.0 2.0
   86    91    99   100   0.21250  1.0 3.0
   87    86    91    92   0.15000  1.0 3.0
   87    86    91    97   0.15000  1.0 3.0
   87    86    91    99   0.23400  1.0 3.0
   87    86    93    94   0.15000  1.0 3.0
   87    86    93    95   0.15000  1.0 3.0
   87    86    93    96   0.15000  1.0 3.0
   91    86    93    94   0.15000  1.0 3.0
   91    86    93    95   0.15000  1.0 3.0
   91    86    93    96   0.15000  1.0 3.0
   91    97   101   102   0.15000  1.0 3.0
   91    97   101   103   0.15000  1.0 3.0
   91    97   101   105   0.56750  1.0 1.0
   91    97   101   105  -0.07550 -1.0 2.0
   91    97   101   105   0.20000  1.0 3.0
   91    97   104   107   0.06250  1.0 1.0
   91    97   104   107  -0.01100 -1.0 2.0
   91    97   104   107   0.28050  1.0 3.0
   92    91    97    98   0.15000  1.0 3.0
   92    91    97   101   0.15000  1.0 3.0
   92    91    97   104   0.23400  1.0 3.0
   92    91    99   100   0.19450  1.0 3.0
   97    91    99   100  -0.11600  1.0 1.0
   97    91    99   100  -0.09450 -1.0 2.0
   97    91    99   100   0.21250  1.0 3.0
   97   101   105   106   0.15000  1.0 3.0
   97   101   105    41   0.56750  1.0 1.0
   97   101   105    41  -0.07550 -1.0 2.0
   97   101   105    41   0.20000  1.0 3.0
   97   101   105   111   0.56750  1.0 1.0
   97   101   105   111  -0.07550 -1.0 2.0
   97   101   105   111   0.20000  1.0 3.0
   97   104   107   108   0.37050  1.0 3.0
   97   104   107   109   0.37050  1.0 3.0
   97   104   107   110   0.37050  1.0 3.0
   98    97   101   102   0.15000  1.0 3.0
   98    97   101   103   0.15000  1.0 3.0
   98    97   101   105   0.15000  1.0 3.0
   98    97   104   107   0.37050  1.0 3.0
  101    97   104   107   0.06250  1.0 1.0
  101    97   104   107  -0.01100 -1.0 2.0
  101    97   104   107   0.28050  1.0 3.0
  101   105    41    37   0.34400  1.0 1.0
  101   105    41    37   0.09450 -1.0 2.0
  101   105    41    37   0.11100  1.0 3.0
  101   105    41    42   0.15000  1.0 3.0
  101   105    41    43   0.15000  1.0 3.0
  101   105   111   112   0.15000  1.0 3.0
  101   105   111   113   0.15000  1.0 3.0
  101   105   111   114   0.15000  1.0 3.0
  102   101   105   106   0.15000  1.0 3.0
  102   101   105    41   0.15000  1.0 3.0
  102   101   105   111   0.15000  1.0 3.0
  103   101   105   106   0.15000  1.0 3.0
  103   101   105    41   0.15000  1.0 3.0
  103   101   105   111   0.15000  1.0 3.0
  106   105    41    37   0.15000  1.0 3.0
  106   105    41    42   0.15000  1.0 3.0
  106   105    41    43   0.15000  1.0 3.0
  106   105   111   112   0.15000  1.0 3.0
  106   105   111   113   0.15000  1.0 3.0
  106   105   111   114   0.15000  1.0 3.0
   41    37    39    40   7.00000 -1.0 2.0
   41    37    39    48   7.00000 -1.0 2.0
   41   105   111   112   0.15000  1.0 3.0
   41   105   111   113   0.15000  1.0 3.0
   41   105   111   114   0.15000  1.0 3.0
  111   105    41    37   0.34400  1.0 1.0
  111   105    41    37   0.09450 -1.0 2.0
  111   105    41    37   0.11100  1.0 3.0
  111   105    41    42   0.15000  1.0 3.0
  111   105    41    43   0.15000  1.0 3.0
  104    97   101   102   0.23400  1.0 3.0
  104    97   101   103   0.23400  1.0 3.0
  104    97   101   105   0.62750  1.0 1.0
  104    97   101   105  -0.30950 -1.0 2.0
  104    97   101   105   0.27300  1.0 3.0
   99    91    97    98   0.23400  1.0 3.0
   99    91    97   101   0.86500  1.0 1.0
   99    91    97   101  -0.17500 -1.0 2.0
   99    91    97   101   0.20800  1.0 3.0
   99    91    97   104   3.69350  1.0 1.0
   99    91    97   104  -1.82950 -1.0 2.0
   93    86    91    92   0.15000  1.0 3.0
   93    86    91    97   0.56750  1.0 1.0
   93    86    91    97  -0.07550 -1.0 2.0
   93    86    91    97   0.20000  1.0 3.0
   93    86    91    99   0.86500  1.0 1.0
   93    86    91    99  -0.17500 -1.0 2.0
   93    86    91    99   0.20800  1.0 3.0
   80    72    78    79   7.00000 -1.0 2.0
   80    72    78    86   7.00000 -1.0 2.0
   73    69    72    78   0.39000  1.0 1.0
   73    69    72    78  -0.05800 -1.0 2.0
   73    69    72    78  -0.55150  1.0 3.0
   73    69    72    80   0.09700  1.0 1.0
   73    69    72    80   0.15600 -1.0 2.0
   73    69    72    80  -0.50800  1.0 3.0
   73    84    88    89   2.56700 -1.0 2.0
   73    84    88    90   2.56700 -1.0 2.0
   85    84    88    89   2.45000 -1.0 2.0
   85    84    88    90   2.45000 -1.0 2.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    72   0.61850  1.0 1.0
   71    67    69    72  -0.22750 -1.0 2.0
   71    67    69    72   0.15300  1.0 3.0
   71    67    69    73   1.11900  1.0 1.0
   71    67    69    73  -1.16350 -1.0 2.0
   71    67    69    73  -0.34150  1.0 3.0
   59    56    57    58   7.00000 -1.0 2.0
   59    56    57    63   7.00000 -1.0 2.0
   38    33    37    39   0.39000  1.0 1.0
   38    33    37    39  -0.05800 -1.0 2.0
   38    33    37    39  -0.55150  1.0 3.0
   38    33    37    41   0.09700  1.0 1.0
   38    33    37    41   0.15600 -1.0 2.0
   38    33    37    41  -0.50800  1.0 3.0
   38    33    52    49   0.65300  1.0 1.0
   38    33    52    49  -0.03850 -1.0 2.0
   38    33    52    49   0.33900  1.0 3.0
   38    33    52    53   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    39   1.10000 -1.0 2.0
   48    40    39    37   1.10000 -1.0 2.0
   39    51    48    49   1.10000 -1.0 2.0
   52    50    49    48   1.10000 -1.0 2.0
   33    49    52    53  10.50000 -1.0 2.0
   56    55    54    51  10.50000 -1.0 2.0
   54    59    56    57   1.10000 -1.0 2.0
   63    58    57    56   1.10000 -1.0 2.0
   57    64    63    65   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   69    80    72    78   1.10000 -1.0 2.0
   86    79    78    72   1.10000 -1.0 2.0
   73    88    84    85  10.50000 -1.0 2.0
   90    84    88    89   1.00000 -1.0 2.0
END
