* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    158    247     458
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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   _C19    36     1.80585    98.13950   161.76202
   34    33 S   HC   _H3_    37     1.09716   101.45984   -52.22873
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   C5X  _C10    38     1.52142   115.45501    60.03109
   39    33 S   CM   _C20    74     1.53401   110.09385  -167.94491
   40    38 S   C5X  _C9_    39     1.36696   130.39058    39.50137
   41    40 S   HA   _H14    40     1.07126   135.77640    -0.05935
   42    39 S   CMA  _C21    75     1.34956   121.21394    80.66168
   43    42 S   OM   _O35    76     1.39571   120.31046     0.77177
   44    42 S   OM   _O36    77     1.39658   120.08044  -179.22595
   45    39 S   CT   _C22    78     1.52838   118.10605   -97.34068
   46    45 S   HC   _H21    79     1.09725   111.15251   148.03234
   47    45 S   HC   _H22    80     1.09683   108.55624    33.95985
   48    40 S   N5P  _N4_    41     1.37394   106.69112  -179.95154
   49    48 S   H    _H13    42     1.01629   125.24862  -179.96044
   50    45 S   C5A  _C23    81     1.51431   115.69562   -89.63872
   51    48 S   CRP  _C8_    43     1.33621   109.51371    -0.02798
   52    50 S   C5B  _C24    82     1.37770   128.47831   -34.54986
   53    52 S   HA   _H23    83     1.08331   123.66883     0.06561
   54    38 S   N5P  _N5_    44     1.37363   122.86844  -140.42931
   55    51 S   CT   _C7_    61     1.48411   125.52141  -179.97202
   56    55 S   HC   _H11    62     1.10623   110.93627  -134.96912
   57    55 S   HC   _H12    63     1.10628   110.87524   -18.77046
   58    52 S   C5B  _C25    84     1.42492   112.05818  -179.89532
   59    58 S   HA   _H24    85     1.08260   124.59451   179.91844
   60    54 S   CT   _C11    45     1.45141   125.61202    -0.07913
   61    60 S   HC   _H15    46     1.09629   109.43737   -44.94710
   62    60 S   HC   _H16    47     1.09612   109.47013  -161.28208
   63    55 S   CT   _C6_    64     1.53985   112.38040   103.11699
   64    63 S   HC   _H9_    65     1.09722   109.41621    60.04320
   65    63 S   HC   _H10    66     1.09735   109.44305   -56.56059
   66    58 S   C5A  _C26    86     1.37664   112.09293     0.02798
   67    66 S   HA   _H25    87     1.08133   127.67260  -179.94405
   68    60 S   CA   _C12    48     1.50434   109.60413    76.90135
   69    63 S   CT   _C5_    67     1.52871   112.09383  -178.27785
   70    69 S   HC   _H7_    68     1.09613   109.87003   -60.51791
   71    69 S   HC   _H8_    69     1.09650   109.88050    57.28789
   72    50 S   SA   _S1_    88     1.71235   119.50305   145.56314
   73    68 S   CA   _C13    49     1.39498   119.92703  -121.03568
   74    73 S   HA   _H17    50     1.08629   120.58014    -0.04423
   75    69 S   CT   _C4_    70     1.52035   111.47229   178.37189
   76    75 S   HC   _H4_    71     1.09449   111.00103   -58.51184
   77    75 S   HC   _H5_    72     1.09533   110.99706  -178.92899
   78    75 S   HC   _H6_    73     1.09460   110.29701    61.26241
   79    73 S   CA   _C14    51     1.39480   119.93434   179.88809
   80    79 S   HA   _H18    52     1.08748   119.35516  -179.97202
   81    79 S   CA   _C15    53     1.39494   120.08145     0.05935
   82    81 S   CA   _C16    54     1.39493   119.92666    -0.05234
   83    82 S   HA   _H19    55     1.08722   120.52885   179.97202
   84    81 S   CO3  _C18    58     1.47177   120.00644   179.96044
   85    84 S   O2Z  _O34    59     1.28737   118.73937   179.96044
   86    84 S   O2Z  _O33    60     1.28774   118.76534     0.00000
   87    68 S   CA   _C17    56     1.39464   120.05644    58.93332
   88    87 S   HA   _H20    57     1.08742   120.52187     0.05935
  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   8   5   4   3
  16   6   2   1   1  14  11   7   4   6   2   1   8   4   3   8
   3   7  12   6   4  10  10   5   4   4   3   9   4   3   9   5
   4   2   1   9   6   5   4   1   8   4   3   2   1   1   8   3
   7   6   3   3   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    54    39    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    48    51    54    60    39    42    43    44    45    46    47    50  
   38    40    54    39    42    45  
   36    37  
   37  
    0  
   40    41    48    49    51    54    60    61    62    68    55    39    42    45  
   42    43    44    45    46    47    50    52    72    40    54  
   41    48    49    51    54    60    55  
   48    49    51    54  
   43    44    45    46    47    50  
   44    45  
   45  
   46    47    50    52    53    58    66    72  
   47    50    52    72  
   50    52    72  
   49    51    54    60    55    56    57    63  
   51    54    55  
   52    53    58    59    66    67    72  
   54    60    61    62    68    55    56    57    63    64    65    69  
   53    58    59    66    67    72  
   58    59    66    72  
   60    61    62    68    73    87    55    56    57    63  
   56    57    63    64    65    69    70    71    75    60  
   57    63    64    65    69  
   63    64    65    69  
   59    66    67    72  
   66    67    72  
   61    62    68    73    74    79    82    87    88  
   62    68    73    87  
   68    73    87  
   64    65    69    70    71    75    76    77    78  
   65    69    70    71    75  
   69    70    71    75  
   67    72  
   72  
   73    74    79    80    81    82    83    87    88  
   70    71    75    76    77    78  
   71    75    76    77    78  
   75    76    77    78  
    0  
   74    79    80    81    82    87    88    84  
   79    80    81    87  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    87    84    85    86  
   81    82    84  
   82    83    87    88    84    85    86  
   83    87    88    84    85    86  
   87    88    84  
   85    86    87  
   86  
    0  
   88  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.031100   2.0020   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700   0.055400   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.182200   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.232400   1.9750   1.7500   0.001000000  -0.511443539
   49   0.0000   0.0000   0.379700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.178700   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.222800   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   54   3.2500   0.1700   0.070900   1.8650   1.6500   0.001000000  -0.511443539
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.325500   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.261800   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.120000   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   3.5600   0.3950   0.032800   2.0080   1.7800   0.025682759  -1.666211680
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   295.000  1.488
   33    39   317.000  1.510
   38    40   520.000  1.370
   38    54   455.000  1.369
   40    41   367.000  1.080
   40    48   455.000  1.369
   48    49   505.000  1.012
   48    51   520.000  1.338
   51    54   520.000  1.338
   51    55   290.000  1.488
   54    60   300.000  1.456
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   317.000  1.510
   68    73   469.000  1.400
   68    87   469.000  1.400
   73    74   367.000  1.080
   73    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   469.000  1.400
   81    84   400.000  1.490
   82    83   367.000  1.080
   82    87   469.000  1.400
   87    88   367.000  1.080
   84    85   656.000  1.250
   84    86   656.000  1.250
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   39    42   465.000  1.376
   39    45   317.000  1.510
   42    43   745.000  1.250
   42    44   745.000  1.250
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   295.000  1.489
   50    52   520.000  1.370
   50    72   265.000  1.745
   52    53   367.000  1.080
   52    58   400.000  1.425
   58    59   367.000  1.080
   58    66   520.000  1.370
   66    67   367.000  1.080
   66    72   265.000  1.745
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    55.00000  134.05000
   33    38    54    65.00000  124.50300
   33    39    42    70.00000  124.00000
   33    39    45    65.00000  117.92700
   38    33    34    45.00000  109.40800
   38    40    41    35.00000  130.70000
   38    40    48    90.00000  106.19800
   38    54    51    85.00000  110.35700
   38    54    60    60.00000  126.76000
   40    48    49    40.00000  124.45100
   40    48    51    85.00000  110.35700
   48    40    41    40.00000  122.05800
   48    51    54   100.00000  107.19100
   48    51    55    60.00000  125.91000
   51    48    49    45.00000  124.15700
   51    54    60    65.00000  121.70000
   51    55    56    45.00000  106.72000
   51    55    57    45.00000  106.72000
   51    55    63    70.00000  112.17500
   54    38    40    90.00000  106.19800
   54    60    61    50.00000  107.70000
   54    60    62    50.00000  107.70000
   54    60    68    75.00000  110.34000
   60    68    73    70.00000  120.00000
   60    68    87    70.00000  120.00000
   62    60    61    33.00000  107.80000
   68    60    61    35.00000  109.50000
   68    60    62    35.00000  109.50000
   68    73    74    35.00000  120.00000
   68    73    79    63.00000  120.00000
   68    87    82    63.00000  120.00000
   68    87    88    35.00000  120.00000
   73    79    80    35.00000  120.00000
   73    79    81    63.00000  120.00000
   79    73    74    35.00000  120.00000
   79    81    82    63.00000  120.00000
   79    81    84    85.00000  120.00000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  120.00000
   81    82    87    63.00000  120.00000
   81    84    85    80.00000  120.40000
   81    84    86    80.00000  120.40000
   82    87    88    35.00000  120.00000
   87    68    73    63.00000  120.00000
   87    82    83    35.00000  120.00000
   84    81    82    85.00000  120.00000
   86    84    85    80.00000  126.00000
   55    51    54    60.00000  125.91000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    69    58.35000  112.70000
   57    55    56    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    75    58.35000  112.70000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    44    65.00000  137.10300
   39    45    46    35.00000  109.50000
   39    45    47    35.00000  109.50000
   39    45    50    70.00000  112.40000
   44    42    43    65.00000  121.00000
   45    39    42    70.00000  124.00000
   45    50    52    55.00000  130.44200
   45    50    72    65.00000  123.52500
   47    45    46    33.00000  107.80000
   50    45    46    45.00000  110.47400
   50    45    47    45.00000  110.47400
   50    52    53    35.00000  128.20000
   50    52    58    75.00000  112.39000
   50    72    66   110.00000   90.41100
   52    58    59    35.00000  125.69000
   52    58    66    75.00000  112.39000
   58    52    53    35.00000  125.69000
   58    66    67    35.00000  130.70000
   58    66    72    80.00000  111.29200
   66    58    59    35.00000  128.20000
   72    50    52    80.00000  111.29200
   72    66    67    40.00000  122.38200
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    54   0.04300 -1.0 2.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    38    40    41   3.50000 -1.0 2.0
   33    38    40    48   3.50000 -1.0 2.0
   33    38    54    51   3.62500 -1.0 2.0
   33    38    54    60   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    44   7.00000 -1.0 2.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    47   0.34800  1.0 3.0
   33    39    45    50   0.09700  1.0 1.0
   33    39    45    50   0.15600 -1.0 2.0
   33    39    45    50  -0.50800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    54   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    33    39    45   0.09700  1.0 1.0
   38    33    39    45   0.15600 -1.0 2.0
   38    33    39    45  -0.50800  1.0 3.0
   38    40    48    49   1.40000 -1.0 2.0
   38    40   -48    51   3.62500 -1.0 2.0
   38    54    60    61   0.00000  1.0 1.0
   38    54    60    62   0.00000  1.0 1.0
   38    54    60    68   0.68100  1.0 1.0
   38    54    60    68   0.03350 -1.0 2.0
   38    54    60    68   0.36200  1.0 3.0
   40    38   -54    51   3.62500 -1.0 2.0
   40    38    54    60   3.62500 -1.0 2.0
   40    48   -51    54   3.62500 -1.0 2.0
   40    48    51    55   3.62500 -1.0 2.0
   41    40    48    49   1.60000 -1.0 2.0
   41    40    48    51   3.62500 -1.0 2.0
   48    51   -54    38   3.62500 -1.0 2.0
   48    51    54    60   3.62500 -1.0 2.0
   48    51    55    56   0.00000  1.0 1.0
   48    51    55    57   0.00000  1.0 1.0
   48    51    55    63   0.39850  1.0 1.0
   48    51    55    63   0.06450 -1.0 2.0
   48    51    55    63   0.32400  1.0 3.0
   49    48    51    54   2.00000 -1.0 2.0
   49    48    51    55   2.00000 -1.0 2.0
   51    54    60    61   0.00000  1.0 1.0
   51    54    60    62   0.00000  1.0 1.0
   51    54    60    68   0.68100  1.0 1.0
   51    54    60    68   0.03350 -1.0 2.0
   51    54    60    68   0.36200  1.0 3.0
   51    55    63    64   0.43200  1.0 3.0
   51    55    63    65   0.43200  1.0 3.0
   51    55    63    69  -0.03700  1.0 1.0
   51    55    63    69   0.37200 -1.0 2.0
   51    55    63    69  -0.47300  1.0 3.0
   54    38    40    41   5.37500 -1.0 2.0
   54    38   -40    48   5.37500 -1.0 2.0
   54    51    55    56   0.00000  1.0 1.0
   54    51    55    57   0.00000  1.0 1.0
   54    51    55    63   0.39850  1.0 1.0
   54    51    55    63   0.06450 -1.0 2.0
   54    51    55    63   0.32400  1.0 3.0
   54    60    68    73   0.04300 -1.0 2.0
   54    60    68    87   0.04300 -1.0 2.0
   60    68    73    74   3.62500 -1.0 2.0
   60    68    73    79   3.62500 -1.0 2.0
   60    68    87    82   3.62500 -1.0 2.0
   60    68    87    88   3.62500 -1.0 2.0
   61    60    68    73   0.00000  1.0 1.0
   61    60    68    87   0.00000  1.0 1.0
   62    60    68    73   0.00000  1.0 1.0
   62    60    68    87   0.00000  1.0 1.0
   68    73    79    80   3.62500 -1.0 2.0
   68    73    79    81   3.62500 -1.0 2.0
   73    68    87    82   3.62500 -1.0 2.0
   73    68    87    88   3.62500 -1.0 2.0
   73    79   -81    82   3.62500 -1.0 2.0
   73    79    81    84   3.62500 -1.0 2.0
   74    73    79    80   3.62500 -1.0 2.0
   74    73    79    81   3.62500 -1.0 2.0
   79    81    82    83   3.62500 -1.0 2.0
   79    81    82    87   3.62500 -1.0 2.0
   79    81    84    85   1.05000 -1.0 2.0
   79    81    84    86   1.05000 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    84   3.62500 -1.0 2.0
   81    82   -87    68   3.62500 -1.0 2.0
   81    82    87    88   3.62500 -1.0 2.0
   82    81    84    85   1.05000 -1.0 2.0
   82    81    84    86   1.05000 -1.0 2.0
   83    82    87    68   3.62500 -1.0 2.0
   83    82    87    88   3.62500 -1.0 2.0
   87    68    73    74   3.62500 -1.0 2.0
   87    68   -73    79   3.62500 -1.0 2.0
   84    81    82    83   3.62500 -1.0 2.0
   84    81    82    87   3.62500 -1.0 2.0
   55    51    54    38   3.62500 -1.0 2.0
   55    51    54    60   3.62500 -1.0 2.0
   55    63    69    70   0.15000  1.0 3.0
   55    63    69    71   0.15000  1.0 3.0
   55    63    69    75   0.56750  1.0 1.0
   55    63    69    75  -0.07550 -1.0 2.0
   55    63    69    75   0.20000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    69   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    65   0.15000  1.0 3.0
   57    55    63    69   0.15000  1.0 3.0
   63    69    75    76   0.15000  1.0 3.0
   63    69    75    77   0.15000  1.0 3.0
   63    69    75    78   0.15000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    75   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    75   0.15000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    78   0.15000  1.0 3.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    54   0.04300 -1.0 2.0
   39    45    50    52   0.18050 -1.0 2.0
   39    45    50    72   0.04300 -1.0 2.0
   42    39    45    46   0.00000  1.0 1.0
   42    39    45    47   0.00000  1.0 1.0
   42    39    45    50   1.44450  1.0 1.0
   42    39    45    50   0.06600 -1.0 2.0
   42    39    45    50   0.29250  1.0 3.0
   45    39    42    43   7.00000 -1.0 2.0
   45    39    42    44   7.00000 -1.0 2.0
   45    50    52    53   3.62500 -1.0 2.0
   45    50    52    58   3.62500 -1.0 2.0
   45    50    72    66   3.62500 -1.0 2.0
   46    45    50    52   0.00000  1.0 1.0
   46    45    50    72   0.00000  1.0 1.0
   47    45    50    52   0.00000  1.0 1.0
   47    45    50    72   0.00000  1.0 1.0
   50    52    58    59   3.62500 -1.0 2.0
   50    52   -58    66   3.62500 -1.0 2.0
   52    50   -72    66   3.62500 -1.0 2.0
   52    58    66    67   3.62500 -1.0 2.0
   52    58   -66    72   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   53    52    58    66   3.62500 -1.0 2.0
   58    66   -72    50   3.62500 -1.0 2.0
   59    58    66    67   3.62500 -1.0 2.0
   59    58    66    72   3.62500 -1.0 2.0
   67    66    72    50   3.62500 -1.0 2.0
   72    50    52    53   3.62500 -1.0 2.0
   72    50   -52    58   3.62500 -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
   36    30    35    37  10.50000 -1.0 2.0
   40    54    38    33   4.00000 -1.0 2.0
   48    41    40    38   1.10000 -1.0 2.0
   49    40    48    51   1.00000 -1.0 2.0
   55    54    51    48   4.00000 -1.0 2.0
   51    60    54    38   4.00000 -1.0 2.0
   73    87    68    60   4.00000 -1.0 2.0
   79    74    73    68   1.10000 -1.0 2.0
   81    80    79    73   1.10000 -1.0 2.0
   82    84    81    79   4.00000 -1.0 2.0
   87    83    82    81   1.10000 -1.0 2.0
   82    88    87    68   1.10000 -1.0 2.0
   85    81    84    86  10.50000 -1.0 2.0
   33    45    39    42  15.00000 -1.0 2.0
   43    44    42    39  15.00000 -1.0 2.0
   52    72    50    45   4.00000 -1.0 2.0
   58    53    52    50   1.10000 -1.0 2.0
   66    59    58    52   1.10000 -1.0 2.0
   72    67    66    58   1.10000 -1.0 2.0
END
