* LIGAND DATABASE FILE (OPLS2005)
*
001     114   117    206    324     595
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02054   106.10717    -4.41526
    3     1 S   H    _H1_     3     1.02098    50.18998    96.73622
    4     1 S   H    _H2_     4     1.02115    62.14034  -107.37301
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C24    36     1.80604    98.14668  -178.23764
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C23    37     1.54951   106.36709    40.01920
   38    33 S   CM   _C28   110     1.50422   107.75270   161.81470
   39    38 S   HC   _H25   111     1.08550   117.16439     2.61778
   40    37 S   NIP  _N7_    38     1.40065   108.78894  -105.30587
   41    40 S   H    _H20    39     1.01764   124.61033   176.97095
   42    37 S   CM   _C22    49     1.33960   127.14247    75.09768
   43    42 S   HC   _H18    50     1.08351   119.47177  -179.91607
   44    38 S   CM   _C29   112     1.33729   123.99737  -177.42352
   45    44 S   HC   _H26   113     1.08433   120.39206  -179.94065
   46    44 S   HC   _H27   114     1.08518   121.59247     0.00000
   47    40 S   CG   _C26    40     1.51549   108.41399    -6.58845
   48    42 S   C5A  _C21    51     1.43318   123.52657    -0.00000
   49    33 S   CT   _C25    41     1.58839   113.85219   -76.20232
   50    49 S   HC   _H19    42     1.09961   109.21058  -150.46007
   51    47 S   OH   _O34    47     1.31776   122.57449   178.18544
   52    51 S   HO   _H21    48     0.98507   113.24501    -5.17922
   53    48 S   C5BC _C20    52     1.34946   128.72661   120.04328
   54    49 S   CT   _C27    43     1.51985   118.23268   -26.22152
   55    54 S   HC   _H22    44     1.09119   110.16304    55.22805
   56    54 S   HC   _H23    45     1.09174   110.17492   -64.65989
   57    54 S   HC   _H24    46     1.09069   110.22390   175.27445
   58    53 S   C5BC _C19    53     1.45116   105.35169  -179.91607
   59    53 S   CT   _C30   106     1.48404   131.29705     0.16786
   60    59 S   HC   _H28   107     1.09362   110.23865   -90.05469
   61    59 S   HC   _H29   108     1.09323   110.28821   149.82655
   62    59 S   HC   _H30   109     1.09303   110.30402    30.10203
   63    58 S   C5A  _C18    54     1.46530   104.67163    -0.31466
   64    58 S   CT   _C31    97     1.47283   127.14210   178.14206
   65    64 S   HC   _H31    98     1.10276   110.08722   -44.99534
   66    64 S   HC   _H32    99     1.10233   109.14226  -161.12897
   67    48 S   NA   _N6_    55     1.41287   119.38847   -59.86027
   68    67 S   H    _H17    56     1.01762   124.19601     0.17017
   69    63 S   CT   _C17    57     1.48179   128.50736   179.23255
   70    69 S   HC   _H15    58     1.09542   109.80656  -134.98599
   71    69 S   HC   _H16    59     1.09636   109.20768   -15.14797
   72    64 S   CT   _C32   100     1.53299   113.45669    78.06064
   73    72 S   HC   _H33   101     1.09810   109.31620   -59.98666
   74    72 S   HC   _H34   102     1.09763   108.92917    56.22942
   75    69 S   C5A  _C7_    60     1.48681   107.96613   104.78952
   76    72 S   CO3  _C33   103     1.53371   116.69497   176.54073
   77    76 S   O2Z  _O36   104     1.26574   114.09119  -176.06040
   78    76 S   O2Z  _O35   105     1.26124   116.59470     3.40329
   79    75 S   C5BC _C6_    61     1.46572   128.50636  -105.06634
   80    79 S   C5BC _C5_    62     1.45025   104.66289   179.22418
   81    79 S   CT   _C34    88     1.47387   128.15371     0.71107
   82    81 S   HC   _H35    89     1.10250   110.02215   133.12915
   83    81 S   HC   _H36    90     1.10237   109.12720    16.99818
   84    80 S   C5A  _C8_    63     1.34847   105.41430    -0.38308
   85    80 S   CT   _C4_    84     1.48483   123.33294   179.64337
   86    85 S   HC   _H3_    85     1.09254   110.25523    89.95056
   87    85 S   HC   _H4_    86     1.09310   110.26665   -30.17302
   88    85 S   HC   _H5_    87     1.09311   110.25609  -149.81761
   89    81 S   CT   _C35    91     1.53253   113.48265  -103.80122
   90    89 S   HC   _H37    92     1.09828   109.30564   -59.99560
   91    89 S   HC   _H38    93     1.09793   108.91107    56.16042
   92    75 S   NA   _N4_    64     1.28741   121.15963    73.40392
   93    92 S   H    _H6_    65     1.01731   128.04970     0.86275
   94    84 S   CM   _C9_    66     1.43091   128.80978  -179.89913
   95    94 S   HC   _H7_    67     1.09743   120.20072   -89.92965
   96    89 S   CO3  _C36    94     1.53323   116.73384   176.51884
   97    96 S   O2Z  _O38    95     1.26455   114.15151  -176.07729
   98    96 S   O2Z  _O37    96     1.26217   116.54236     3.45003
   99    94 S   CM   _C10    68     1.34903   119.99681    89.96209
  100    99 S   CM   _C11    69     1.44860   129.54470     0.06256
  101   100 S   CM   _C12    70     1.34669   110.07687   179.97202
  102   100 S   CT   _C16    80     1.49237   121.78759     0.00000
  103   102 S   HC   _H12    81     1.09005   109.88882   -90.09691
  104   102 S   HC   _H13    82     1.09035   109.88891   149.73271
  105   102 S   HC   _H14    83     1.09028   109.89692    30.15236
  106   101 S   C    _C13    71     1.49292   106.55666    -0.02798
  107   106 S   O    _O33    72     1.21888   125.88086  -179.96044
  108   101 S   CM   _C14    75     1.42808   130.19979  -179.93147
  109   108 S   HC   _H9_    76     1.09793   120.31243   139.99856
  110    99 S   N    _N5_    73     1.36509   124.14387  -179.97202
  111   110 S   H    _H8_    74     1.01287   124.31122     0.03426
  112   108 S   CM   _C15    77     1.35064   120.08326   -40.08405
  113   112 S   HC   _H10    78     1.08437   121.03782  -179.98022
  114   112 S   HC   _H11    79     1.08467   121.33272     0.05595
  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  11   5   4   3
  19   2   1   1  15  10   4  10   4  10   3   3   1   1   8  11
   7   5   2   1  13   3   2   1   1  18   6   2   1   1  12  10
   5   4   5   1   9   4   3   5   4   3  11   2   1   1  16  14
  11   5   4  11   5   2   1   1   5   4   3   4   1   8   3   2
   1   1  11  12  13   6   2   1   1   6   3   5   3   1   1   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    49    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    49    50    54    42    38    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    49    50    54    55    56    57    51    42    43    48    38    39    44    45    46  
   35    36  
   36  
    0  
   40    41    47    49    50    54    51    42    43    48    53    67    38    39    44  
   39    44    45    46    40    42    47    49    50    54  
   44    45    46    49  
   41    47    49    50    54    51    52    42    43    48  
   47    49    51    42  
   43    48    53    58    63    67    68    59    47    49  
   48    53    67  
   45    46    49  
   46  
    0  
   49    50    54    55    56    57    51    52  
   53    58    63    67    68    69    64    59    60    61    62  
   50    54    55    56    57    51    52  
   54    55    56    57    51  
   52    54  
    0  
   58    63    67    68    69    64    65    66    72    59    60    61    62  
   55    56    57  
   56    57  
   57  
    0  
   63    67    68    69    70    71    75    64    65    66    72    73    74    76    59    60    61    62  
   60    61    62    63    64    67  
   61    62  
   62  
    0  
   67    68    69    70    71    75    79    92    64    65    66    72  
   65    66    72    73    74    76    77    78    67    69  
   66    72    73    74    76  
   72    73    74    76  
   68    69    70    71    75  
   69  
   70    71    75    79    80    84    92    93    81  
   71    75    79    92  
   75    79    92  
   73    74    76    77    78  
   74    76    77    78  
   76    77    78  
   79    80    84    92    93    94    85    81    82    83    89  
   77    78  
   78  
    0  
   80    84    92    93    94    85    86    87    88    81    82    83    89    90    91    96  
   84    92    93    94    95    99    85    86    87    88    81    82    83    89  
   82    83    89    90    91    96    97    98    84    85    92  
   83    89    90    91    96  
   89    90    91    96  
   92    93    94    95    99   100   110    85    86    87    88  
   86    87    88    92    94  
   87    88  
   88  
    0  
   90    91    96    97    98  
   91    96    97    98  
   96    97    98  
   93    94    95    99  
   94  
   95    99   100   101   106   110   111   102  
   99   100   110  
   97    98  
   98  
    0  
  100   101   106   107   110   111   108   102   103   104   105  
  101   106   107   110   111   108   109   112   102   103   104   105  
  106   107   110   111   108   109   112   113   114   102   103   104   105  
  103   104   105   106   108   110  
  104   105  
  105  
    0  
  107   110   111   108   109   112  
  110   111   108  
  109   112   113   114   110  
  112   113   114  
  111  
    0  
  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  -0.335000   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   0.167500   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   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.2500   0.1700  -0.139000   2.2900   2.0360   0.003973653   1.685851020
   41   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.285800   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.275700   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.503000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.065000   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   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   68   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   93   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   99   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
  100   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  101   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  108   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  109   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  110   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
  111   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  112   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  113   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  114   2.4200   0.0300   0.115000   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    49   268.000  1.529
   33    38   317.000  1.510
   37    40   335.000  1.413
   37    42   549.000  1.340
   40    41   490.000  1.015
   40    47   635.000  1.286
   47    49   290.000  1.488
   47    51   440.000  1.374
   49    50   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   51    52   553.000  0.945
   42    43   340.000  1.080
   42    48   375.000  1.423
   48    53   546.000  1.367
   48    67   427.000  1.381
   53    58   469.000  1.424
   53    59   285.000  1.502
   58    63   546.000  1.367
   58    64   285.000  1.502
   63    67   427.000  1.381
   63    69   295.000  1.489
   67    68   434.000  1.010
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   295.000  1.489
   75    79   546.000  1.367
   75    92   427.000  1.381
   79    80   469.000  1.424
   79    81   285.000  1.502
   80    84   546.000  1.367
   80    85   285.000  1.502
   84    92   427.000  1.381
   84    94   375.000  1.423
   92    93   434.000  1.010
   94    95   340.000  1.080
   94    99   549.000  1.340
   99   100   380.000  1.444
   99   110   400.000  1.384
  100   101   549.000  1.340
  100   102   317.000  1.510
  101   106   410.000  1.444
  101   108   380.000  1.444
  106   107   570.000  1.229
  106   110   490.000  1.335
  110   111   434.000  1.010
  108   109   340.000  1.080
  108   112   549.000  1.340
  112   113   340.000  1.080
  112   114   340.000  1.080
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    96   317.000  1.522
   96    97   656.000  1.250
   96    98   656.000  1.250
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   317.000  1.522
   76    77   656.000  1.250
   76    78   656.000  1.250
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   38    39   340.000  1.080
   38    44   549.000  1.340
   44    45   340.000  1.080
   44    46   340.000  1.080
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    49    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    70.00000  115.00000
   33    37    42    70.00000  124.00000
   33    49    47    70.00000  109.02000
   33    49    50    37.50000  110.70000
   33    49    54    58.35000  112.70000
   33    38    39    35.00000  117.00000
   33    38    44    70.00000  124.00000
   37    40    41    45.00000  118.00000
   37    40    47    70.00000  118.46000
   37    42    43    35.00000  120.00000
   37    42    48    55.00000  128.24000
   40    47    49    70.00000  120.65200
   40    47    51   100.00000  117.62000
   47    40    41    45.00000  118.89500
   47    49    50    45.00000  109.33400
   47    49    54    70.00000  109.02000
   47    51    52    70.00000  105.55000
   49    33    37    70.00000  112.02700
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   54    49    50    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   51    47    49    85.00000  110.80600
   42    37    40    70.00000  113.56000
   42    48    53    50.00000  133.16000
   42    48    67    70.00000  120.38000
   48    42    43    40.00000  117.26300
   48    53    58    70.00000  107.30000
   48    53    59    60.00000  130.00000
   48    67    63    70.00000  109.80000
   48    67    68    35.00000  120.00000
   53    58    63    70.00000  107.30000
   53    58    64    60.00000  130.00000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    62    35.00000  109.50000
   58    63    67    70.00000  107.70000
   58    63    69    50.00000  133.50000
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    72    70.00000  112.17500
   63    67    68    35.00000  120.00000
   63    69    70    45.00000  110.47400
   63    69    71    45.00000  110.47400
   63    69    75    70.00000  112.04700
   67    48    53    70.00000  107.70000
   69    63    67    65.00000  122.56900
   69    75    79    50.00000  133.50000
   69    75    92    65.00000  122.56900
   71    69    70    33.00000  107.80000
   75    69    70    45.00000  110.47400
   75    69    71    45.00000  110.47400
   75    79    80    70.00000  107.30000
   75    79    81    60.00000  130.00000
   75    92    84    70.00000  109.80000
   75    92    93    35.00000  120.00000
   79    80    84    70.00000  107.30000
   79    80    85    60.00000  130.00000
   79    81    82    35.00000  109.50000
   79    81    83    35.00000  109.50000
   79    81    89    70.00000  112.17500
   80    84    92    70.00000  107.70000
   80    84    94    50.00000  133.16000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   84    92    93    35.00000  120.00000
   84    94    95    40.00000  117.26300
   84    94    99    55.00000  128.24000
   92    75    79    70.00000  107.70000
   94    84    92    70.00000  120.38000
   94    99   100    70.00000  123.01800
   94    99   110    75.00000  120.83300
   99    94    95    35.00000  120.00000
   99   100   101    70.00000  123.01800
   99   100   102    70.00000  124.00000
   99   110   106    70.00000  120.89900
   99   110   111    45.00000  117.55000
  100   101   106    70.00000  118.70000
  100   101   108    70.00000  123.01800
  100   102   103    35.00000  109.50000
  100   102   104    35.00000  109.50000
  100   102   105    35.00000  109.50000
  101   106   107    80.00000  125.30000
  101   106   110    80.00000  111.56200
  101   108   109    35.00000  120.00000
  101   108   112    70.00000  123.01800
  106   110   111    35.00000  119.80000
  110    99   100    75.00000  120.83300
  110   106   107    80.00000  122.90000
  108   101   106    70.00000  118.70000
  108   112   113    35.00000  120.00000
  108   112   114    35.00000  120.00000
  112   108   109    35.00000  120.00000
  114   112   113    35.00000  117.00000
  102   100   101    70.00000  124.00000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   85    80    84    60.00000  130.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   81    79    80    60.00000  130.00000
   81    89    90    37.50000  110.70000
   81    89    91    37.50000  110.70000
   81    89    96    70.00000  109.69300
   83    81    82    33.00000  107.80000
   89    81    82    37.50000  110.70000
   89    81    83    37.50000  110.70000
   89    96    97    70.00000  117.00000
   89    96    98    70.00000  117.00000
   91    89    90    33.00000  107.80000
   96    89    90    35.00000  109.50000
   96    89    91    35.00000  109.50000
   98    96    97    80.00000  126.00000
   64    58    63    60.00000  130.00000
   64    72    73    37.50000  110.70000
   64    72    74    37.50000  110.70000
   64    72    76    70.00000  109.69300
   66    64    65    33.00000  107.80000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    76    77    70.00000  117.00000
   72    76    78    70.00000  117.00000
   74    72    73    33.00000  107.80000
   76    72    73    35.00000  109.50000
   76    72    74    35.00000  109.50000
   78    76    77    80.00000  126.00000
   59    53    58    60.00000  130.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   38    33    37    70.00000  110.12100
   38    33    49    70.00000  112.02700
   38    44    45    35.00000  120.00000
   38    44    46    35.00000  120.00000
   44    38    39    35.00000  120.00000
   46    44    45    35.00000  117.00000
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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    49    47   0.56750  1.0 1.0
   29    33    49    47  -0.07550 -1.0 2.0
   29    33    49    47   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    54   0.44750  1.0 1.0
   29    33    49    54  -0.17800 -1.0 2.0
   29    33    49    54   0.20200  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   33    37    40    41   5.00000 -1.0 2.0
   33    37   -40    47   5.00000 -1.0 2.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    48   7.00000 -1.0 2.0
   33    49    54    55   0.15000  1.0 3.0
   33    49    54    56   0.15000  1.0 3.0
   33    49    54    57   0.15000  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   37    33   -49    47   0.31000  1.0 1.0
   37    33   -49    47   0.14700 -1.0 2.0
   37    33   -49    47   0.07550  1.0 3.0
   37    33    49    50   0.15000  1.0 3.0
   37    33    49    54   0.34400  1.0 1.0
   37    33    49    54   0.09450 -1.0 2.0
   37    33    49    54   0.11100  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    44  -0.28300  1.0 1.0
   37    33    38    44   0.26700 -1.0 2.0
   37    33    38    44  -0.63300  1.0 3.0
   37    40   -47    49   2.00000 -1.0 2.0
   37    40    47    51   2.00000 -1.0 2.0
   37    42    48    53   0.15800  1.0 1.0
   37    42    48    53   1.85350 -1.0 2.0
   37    42    48    53  -0.48700  1.0 3.0
   37    42    48    67   0.11450  1.0 1.0
   37    42    48    67   1.85100 -1.0 2.0
   37    42    48    67  -0.49050  1.0 3.0
   40    37    42    43   7.00000 -1.0 2.0
   40    37    42    48   7.00000 -1.0 2.0
   40    47   -49    33   0.00000  1.0 1.0
   40    47    49    50   0.00000  1.0 1.0
   40    47    49    54   0.00000  1.0 1.0
   40    47    51    52   1.50000 -1.0 2.0
   41    40    47    49   2.00000 -1.0 2.0
   41    40    47    51   2.00000 -1.0 2.0
   47    49    54    55   0.15000  1.0 3.0
   47    49    54    56   0.15000  1.0 3.0
   47    49    54    57   0.15000  1.0 3.0
   49    33   -37    40   0.09700  1.0 1.0
   49    33   -37    40   0.15600 -1.0 2.0
   49    33   -37    40  -0.50800  1.0 3.0
   49    33    37    42   0.09850  1.0 1.0
   49    33    37    42   0.15250 -1.0 2.0
   49    33    37    42  -0.50650  1.0 3.0
   49    33    38    39   0.00000  1.0 1.0
   49    33    38    44   0.09850  1.0 1.0
   49    33    38    44   0.15250 -1.0 2.0
   49    33    38    44  -0.50650  1.0 3.0
   49    47    51    52   1.50000 -1.0 2.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    57   0.15000  1.0 3.0
   51    47    49    33   0.00000  1.0 1.0
   51    47    49    50   0.00000  1.0 1.0
   51    47    49    54   0.00000  1.0 1.0
   42    37    40    41   5.00000 -1.0 2.0
   42    37    40    47   5.00000 -1.0 2.0
   42    48    53    58   3.62500 -1.0 2.0
   42    48    53    59   3.62500 -1.0 2.0
   42    48    67    63   3.62500 -1.0 2.0
   42    48    67    68   2.00000 -1.0 2.0
   43    42    48    53   0.56550  1.0 3.0
   43    42    48    67   0.54250  1.0 3.0
   48    53   -58    63   3.62500 -1.0 2.0
   48    53    58    64   3.62500 -1.0 2.0
   48    53    59    60   0.00000  1.0 1.0
   48    53    59    61   0.00000  1.0 1.0
   48    53    59    62   0.00000  1.0 1.0
   53    48   -67    63   3.62500 -1.0 2.0
   53    48    67    68   2.00000 -1.0 2.0
   53    58   -63    67   3.62500 -1.0 2.0
   53    58    63    69   3.62500 -1.0 2.0
   53    58    64    65   0.00000  1.0 1.0
   53    58    64    66   0.00000  1.0 1.0
   53    58    64    72   0.04150 -1.0 2.0
   58    53    59    60   0.00000  1.0 1.0
   58    53    59    61   0.00000  1.0 1.0
   58    53    59    62   0.00000  1.0 1.0
   58    63   -67    48   3.62500 -1.0 2.0
   58    63    67    68   2.00000 -1.0 2.0
   58    63    69    70   0.00000  1.0 1.0
   58    63    69    71   0.00000  1.0 1.0
   58    63    69    75   0.04300 -1.0 2.0
   58    64    72    73   0.43200  1.0 3.0
   58    64    72    74   0.43200  1.0 3.0
   58    64    72    76  -2.95950  1.0 1.0
   58    64    72    76   0.02300  1.0 3.0
   63    58    64    65   0.00000  1.0 1.0
   63    58    64    66   0.00000  1.0 1.0
   63    58    64    72   0.04150 -1.0 2.0
   63    69    75    79   0.04300 -1.0 2.0
   63    69    75    92   0.04300 -1.0 2.0
   67    48   -53    58   3.62500 -1.0 2.0
   67    48    53    59   3.62500 -1.0 2.0
   67    63    69    70   0.00000  1.0 1.0
   67    63    69    71   0.00000  1.0 1.0
   67    63    69    75   0.04300 -1.0 2.0
   69    63    67    48   3.62500 -1.0 2.0
   69    63    67    68   2.00000 -1.0 2.0
   69    75    79    80   3.62500 -1.0 2.0
   69    75    79    81   3.62500 -1.0 2.0
   69    75    92    84   3.62500 -1.0 2.0
   69    75    92    93   2.00000 -1.0 2.0
   70    69    75    79   0.00000  1.0 1.0
   70    69    75    92   0.00000  1.0 1.0
   71    69    75    79   0.00000  1.0 1.0
   71    69    75    92   0.00000  1.0 1.0
   75    79   -80    84   3.62500 -1.0 2.0
   75    79    80    85   3.62500 -1.0 2.0
   75    79    81    82   0.00000  1.0 1.0
   75    79    81    83   0.00000  1.0 1.0
   75    79    81    89   0.04150 -1.0 2.0
   79    75   -92    84   3.62500 -1.0 2.0
   79    75    92    93   2.00000 -1.0 2.0
   79    80   -84    92   3.62500 -1.0 2.0
   79    80    84    94   3.62500 -1.0 2.0
   79    80    85    86   0.00000  1.0 1.0
   79    80    85    87   0.00000  1.0 1.0
   79    80    85    88   0.00000  1.0 1.0
   79    81    89    90   0.43200  1.0 3.0
   79    81    89    91   0.43200  1.0 3.0
   79    81    89    96  -2.95950  1.0 1.0
   79    81    89    96   0.02300  1.0 3.0
   80    79    81    82   0.00000  1.0 1.0
   80    79    81    83   0.00000  1.0 1.0
   80    79    81    89   0.04150 -1.0 2.0
   80    84   -92    75   3.62500 -1.0 2.0
   80    84    92    93   2.00000 -1.0 2.0
   80    84    94    95   0.56550  1.0 3.0
   80    84    94    99   0.15800  1.0 1.0
   80    84    94    99   1.85350 -1.0 2.0
   80    84    94    99  -0.48700  1.0 3.0
   84    80    85    86   0.00000  1.0 1.0
   84    80    85    87   0.00000  1.0 1.0
   84    80    85    88   0.00000  1.0 1.0
   84    94    99   100   7.00000 -1.0 2.0
   84    94    99   110   7.00000 -1.0 2.0
   92    75   -79    80   3.62500 -1.0 2.0
   92    75    79    81   3.62500 -1.0 2.0
   92    84    94    95   0.54250  1.0 3.0
   92    84    94    99   0.11450  1.0 1.0
   92    84    94    99   1.85100 -1.0 2.0
   92    84    94    99  -0.49050  1.0 3.0
   94    84    92    75   3.62500 -1.0 2.0
   94    84    92    93   2.00000 -1.0 2.0
   94    99   100   101   0.28850  1.0 1.0
   94    99   100   101   2.61350 -1.0 2.0
   94    99   100   101   0.78400  1.0 3.0
   94    99   100   102  -0.18600  1.0 3.0
   94    99   110   106  -0.18900  1.0 1.0
   94    99   110   106   1.70900 -1.0 2.0
   94    99   110   111   0.78350 -1.0 2.0
   95    94    99   100   7.00000 -1.0 2.0
   95    94    99   110   7.00000 -1.0 2.0
   99   100  -101   106   7.00000 -1.0 2.0
   99   100   101   108   7.00000 -1.0 2.0
   99   100   102   103   0.00000  1.0 1.0
   99   100   102   104   0.00000  1.0 1.0
   99   100   102   105   0.00000  1.0 1.0
  100    99  -110   106  -0.18900  1.0 1.0
  100    99  -110   106   1.70900 -1.0 2.0
  100    99   110   111   0.78350 -1.0 2.0
  100   101   106   107   1.00000 -1.0 2.0
  100   101  -106   110   0.49500  1.0 1.0
  100   101  -106   110   1.31600 -1.0 2.0
  100   101  -106   110  -0.02300  1.0 3.0
  100   101   108   109  -0.18600  1.0 3.0
  100   101   108   112   0.28850  1.0 1.0
  100   101   108   112   2.61350 -1.0 2.0
  100   101   108   112   0.78400  1.0 3.0
  101   100   102   103   0.00000  1.0 1.0
  101   100   102   104   0.00000  1.0 1.0
  101   100   102   105   0.00000  1.0 1.0
  101   106  -110    99   2.45000 -1.0 2.0
  101   106   110   111   2.56700 -1.0 2.0
  101   108   112   113   7.00000 -1.0 2.0
  101   108   112   114   7.00000 -1.0 2.0
  106   101   108   109   0.00000  1.0 1.0
  106   101   108   112  -0.18600  1.0 3.0
  107   106   110    99   2.67200 -1.0 2.0
  107   106   110   111   2.45000 -1.0 2.0
  110    99  -100   101  -0.18600  1.0 3.0
  110    99   100   102   1.08500 -1.0 2.0
  108   101   106   107   1.00000 -1.0 2.0
  108   101   106   110   0.49500  1.0 1.0
  108   101   106   110   1.31600 -1.0 2.0
  108   101   106   110  -0.02300  1.0 3.0
  109   108   112   113   7.00000 -1.0 2.0
  109   108   112   114   7.00000 -1.0 2.0
  102   100   101   106   7.00000 -1.0 2.0
  102   100   101   108   7.00000 -1.0 2.0
   85    80    84    92   3.62500 -1.0 2.0
   85    80    84    94   3.62500 -1.0 2.0
   81    79    80    84   3.62500 -1.0 2.0
   81    79    80    85   3.62500 -1.0 2.0
   81    89    96    97   0.41150 -1.0 2.0
   81    89    96    98   0.41150 -1.0 2.0
   82    81    89    90   0.15000  1.0 3.0
   82    81    89    91   0.15000  1.0 3.0
   82    81    89    96  -0.11250  1.0 3.0
   83    81    89    90   0.15000  1.0 3.0
   83    81    89    91   0.15000  1.0 3.0
   83    81    89    96  -0.11250  1.0 3.0
   90    89    96    97   0.00000  1.0 1.0
   90    89    96    98   0.00000  1.0 1.0
   91    89    96    97   0.00000  1.0 1.0
   91    89    96    98   0.00000  1.0 1.0
   64    58    63    67   3.62500 -1.0 2.0
   64    58    63    69   3.62500 -1.0 2.0
   64    72    76    77   0.41150 -1.0 2.0
   64    72    76    78   0.41150 -1.0 2.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    74   0.15000  1.0 3.0
   65    64    72    76  -0.11250  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    74   0.15000  1.0 3.0
   66    64    72    76  -0.11250  1.0 3.0
   73    72    76    77   0.00000  1.0 1.0
   73    72    76    78   0.00000  1.0 1.0
   74    72    76    77   0.00000  1.0 1.0
   74    72    76    78   0.00000  1.0 1.0
   59    53    58    63   3.62500 -1.0 2.0
   59    53    58    64   3.62500 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33    37    42  -0.28300  1.0 1.0
   38    33    37    42   0.26700 -1.0 2.0
   38    33    37    42  -0.63300  1.0 3.0
   38    33    49    47   0.31000  1.0 1.0
   38    33    49    47   0.14700 -1.0 2.0
   38    33    49    47   0.07550  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    54   0.34400  1.0 1.0
   38    33    49    54   0.09450 -1.0 2.0
   38    33    49    54   0.11100  1.0 3.0
   39    38    44    45   7.00000 -1.0 2.0
   39    38    44    46   7.00000 -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    40    37    42   1.10000 -1.0 2.0
   37    41    40    47   1.00000 -1.0 2.0
   49    51    47    40  10.50000 -1.0 2.0
   48    43    42    37   1.10000 -1.0 2.0
   53    67    48    42   4.00000 -1.0 2.0
   58    59    53    48   4.00000 -1.0 2.0
   63    64    58    53   4.00000 -1.0 2.0
   69    67    63    58   4.00000 -1.0 2.0
   68    48    67    63   1.00000 -1.0 2.0
   79    92    75    69   4.00000 -1.0 2.0
   80    81    79    75   4.00000 -1.0 2.0
   84    85    80    79   4.00000 -1.0 2.0
   94    92    84    80   4.00000 -1.0 2.0
   93    75    92    84   1.00000 -1.0 2.0
   84    95    94    99   1.10000 -1.0 2.0
  100   110    99    94   1.10000 -1.0 2.0
   99   102   100   101   1.10000 -1.0 2.0
  106   108   101   100   1.10000 -1.0 2.0
  101   110   106   107  10.50000 -1.0 2.0
  111   106   110    99   1.00000 -1.0 2.0
  101   109   108   112  15.00000 -1.0 2.0
  113   114   112   108  15.00000 -1.0 2.0
   97    89    96    98  10.50000 -1.0 2.0
   77    72    76    78  10.50000 -1.0 2.0
   33    39    38    44  15.00000 -1.0 2.0
   45    46    44    38  15.00000 -1.0 2.0
END
