* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    142    242     426
    1     0 S   NP   _N1_     1    28.75458    95.76512   -21.10967
    2     1 S   H    _HN1     2     1.02827    37.78852   174.92352
    3     1 S   H    _H1_     3     1.02770    92.57073   -68.62822
    4     1 S   H    _H2_     4     1.02951    80.07065    39.60058
    5     1 S   CT   _CA1     5     1.50140   146.84568   151.77693
    6     5 S   HC   _HA1     6     1.09589   105.11289    73.96045
    7     5 S   CO3  _C1_     7     1.53644   112.51169   -45.93468
    8     7 S   O2Z  _O11     8     1.26358   114.97272   -40.89428
    9     7 S   O2Z  _O12     9     1.26220   114.78527   138.01534
   10     5 S   CT   _CB1    10     1.53051   107.40760  -168.35077
   11    10 S   HC   HB11    11     1.09819   108.84933   -51.96416
   12    10 S   HC   HB12    12     1.09815   110.56979    64.43335
   13    10 S   CT   _CG1    13     1.53044   112.86949  -173.22876
   14    13 S   HC   HG11    14     1.09593   110.38041   -70.96514
   15    13 S   HC   HG12    15     1.09676   109.98486    48.23969
   16    13 S   C    _CD1    16     1.51877   112.31183   168.15743
   17    16 S   O    _OE1    17     1.22740   123.28096    -0.02798
   18    16 S   N    _N2_    18     1.38644   111.73166  -179.26645
   19    18 S   H    _HN2    19     1.01603   118.90793    -0.82638
   20    18 S   CT1  _CA2    20     1.46313   123.30729   176.25268
   21    20 S   HC   _HA2    21     1.09744   109.29279   -11.60359
   22    20 S   C    _C2_    22     1.53430   108.13617  -126.88361
   23    22 S   O    _O2_    23     1.23019   122.43364  -147.71906
   24    20 S   CT   _CB2    32     1.53286   111.73141   110.71726
   25    24 S   HC   HB21    33     1.09459   109.86664    55.82547
   26    24 S   HC   HB22    34     1.09520   110.64985   173.98764
   27    22 S   N    _N3_    24     1.38378   113.39625    39.71481
   28    27 S   H    _HN3    25     1.01650   119.45530    -3.54724
   29    24 S   S    _SG2    35     1.82797   111.36148   -67.21573
   30    27 S   CT   _CA3    26     1.45287   123.20235   177.04090
   31    30 S   HC   HA31    27     1.09549   107.51192   -64.31934
   32    30 S   HC   HA32    28     1.09556   107.97615    52.11165
   33    29 S   CT   _C25    36     1.84239   100.25358   146.45424
   34    33 S   HC   _H3_    37     1.09718   105.74669    44.18235
   35    30 S   CO3  _C3_    29     1.52952   114.07886   174.08676
   36    35 S   O2Z  _O31    30     1.26375   116.02900    -1.27134
   37    35 S   O2Z  _O32    31     1.26426   114.42267   178.80630
   38    33 S   CT   _C23    38     1.54103   111.37646   -75.49014
   39    38 S   HC   _H38    39     1.09404   109.12665    44.51005
   40    38 S   CA   _C21    40     1.52226   115.48121   -79.24915
   41    38 S   OH   _O24    76     1.43187   108.50530   160.79624
   42    41 S   HO   _H42    77     0.97243   107.58734   -64.00528
   43    40 S   CA   _C19    41     1.43541   120.31254   162.85159
   44    40 S   CA   _C20    67     1.41417   119.86206   -18.94205
   45    43 S   CA   _C13    42     1.41408   124.41501     0.38155
   46    45 S   HA   _H36    43     1.08888   119.47460     0.84996
   47    44 S   CT   _C22    68     1.51089   122.93904     1.31239
   48    47 S   HC   _H37    69     1.09731   109.50702  -133.81186
   49    45 S   CA   _C15    44     1.40852   123.17564  -179.64282
   50    33 S   CT   _C24    70     1.53781   113.09348   161.41268
   51    50 S   HC   _H39    71     1.09843   107.75326  -174.95438
   52    47 S   OH   _O23    74     1.42816   107.94110   110.77628
   53    52 S   HO   _H41    75     0.97349   106.85593  -166.17346
   54    49 S   CA   _C9_    45     1.39828   119.64122   179.80820
   55    54 S   HA   _H32    46     1.08835   120.65164     0.04846
   56    49 S   CA   _C18    59     1.41074   120.50246    -0.12511
   57    50 S   OH   _O25    72     1.42685   111.69393   -58.63002
   58    57 S   HO   _H43    73     0.97251   107.69246   -53.02052
   59    54 S   CA   _C8_    47     1.39100   120.98772  -179.80317
   60    59 S   HA   _H31    48     1.08820   118.52316   179.86438
   61    56 S   CA   _C12    60     1.41481   116.25263    -0.30710
   62    61 S   HA   _H35    61     1.08865   119.43100   179.97202
   63    59 S   CA   _C14    49     1.39636   120.76097     0.09279
   64    43 S   CA   _C16    62     1.40983   119.19474  -179.91153
   65    63 S   CA   _C6_    50     1.40548   119.49815   179.77100
   66    65 S   HA   _H29    51     1.08844   120.50257     0.07133
   67    64 S   CA   _C10    63     1.39857   119.86483    -0.68785
   68    67 S   HA   _H33    64     1.08834   120.65200   179.82417
   69    65 S   CA   _C4_    52     1.39143   121.02389  -179.78878
   70    69 S   HA   _H27    53     1.08575   120.18195   179.89165
   71    67 S   CA   _C11    65     1.39018   120.89371    -0.53887
   72    71 S   HA   _H34    66     1.08788   118.95178  -179.75691
   73    69 S   CA   _C5_    54     1.38614   119.54415     0.04423
   74    73 S   HA   _H28    55     1.08618   120.12673   179.79347
   75    73 S   CA   _C7_    56     1.39770   119.97347    -0.07662
   76    75 S   HA   _H30    57     1.08669   116.71908   179.67797
   77    63 S   CA   _C17    58     1.41878   119.85107    -0.11364
  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  10   5   4   3
  15   8   2   1   1  13   6  16   4   1  13  13  10   4  10   6
  11   6   3   3   1   8   4  11   1   1   7   3   8   3   8   5
   7   4   3   2   6   3   1   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    50    51    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    47    48    50    51    57    58    52    41    42  
   38    39    40    47    50    51    57    41  
   36    37  
   37  
    0  
   39    40    43    45    64    71    44    47    50    51    57    41    42  
   40    43    44    50    41    42  
   43    45    46    49    61    64    67    71    72    44    47    48    50    52    41    42  
   42    43    44    50  
    0  
   45    46    49    54    56    61    62    64    67    68    71    44    47  
   47    48    50    51    57    52    53    45    64    67    68    71    72  
   46    49    54    55    59    77    56    61    64    67  
   49    54    56    64  
   48    50    51    57    58    52    53    67    71    72  
   50    51    57    52    53    71  
   54    55    59    60    63    75    77    56    61    62    64  
   51    57    58    52    53    71  
   57    58    52  
   53    57    71  
    0  
   55    59    60    63    65    77    56    61  
   59    60    63    56  
   61    62    64    67    59    63    65    73    75    76    77  
   58  
    0  
   60    63    65    66    69    75    77  
   63    65    77  
   62    64    67    68    71    63    75    77  
   64    67    77  
   65    66    69    70    73    75    76    77  
   67    68    71    72    77  
   66    69    70    73    74    75    77  
   69    70    73    77  
   68    71    72  
   71    72  
   70    73    74    75    76    77  
   73    74    75  
   72  
    0  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.107500   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   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    43   469.000  1.400
   40    44   469.000  1.400
   43    45   469.000  1.400
   43    64   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    54   469.000  1.400
   49    56   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    65   469.000  1.400
   63    77   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    56   469.000  1.400
   56    61   469.000  1.400
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    67   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    44   469.000  1.400
   44    47   317.000  1.510
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    52   320.000  1.410
   50    51   340.000  1.090
   50    57   320.000  1.410
   57    58   553.000  0.945
   52    53   553.000  0.945
   41    42   553.000  0.945
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    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.17500
   33    38    41    50.00000  109.50000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    70.00000  120.00000
   38    40    44    70.00000  120.00000
   38    41    42    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    43    45    63.00000  120.00000
   40    43    64    63.00000  120.00000
   40    44    71    63.00000  120.00000
   40    44    47    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    49    63.00000  120.00000
   43    64    61    63.00000  120.00000
   43    64    67    63.00000  120.00000
   45    49    54    63.00000  120.00000
   45    49    56    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    59    63.00000  120.00000
   49    56    77    63.00000  120.00000
   49    56    61    63.00000  120.00000
   54    59    60    35.00000  120.00000
   54    59    63    63.00000  120.00000
   59    54    55    35.00000  120.00000
   59    63    65    63.00000  120.00000
   59    63    77    63.00000  120.00000
   63    59    60    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    69    63.00000  120.00000
   63    77    75    63.00000  120.00000
   63    77    56    63.00000  120.00000
   65    69    70    35.00000  120.00000
   65    69    73    63.00000  120.00000
   69    65    66    35.00000  120.00000
   69    73    74    35.00000  120.00000
   69    73    75    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    56    63.00000  120.00000
   77    63    65    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    56    61    63.00000  120.00000
   56    49    54    63.00000  120.00000
   56    61    62    35.00000  120.00000
   56    61    64    63.00000  120.00000
   61    64    67    63.00000  120.00000
   64    43    45    63.00000  120.00000
   64    61    62    35.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    71    63.00000  120.00000
   67    71    72    35.00000  120.00000
   67    71    44    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    44    47    70.00000  120.00000
   44    40    43    63.00000  120.00000
   44    71    72    35.00000  120.00000
   44    47    48    35.00000  109.50000
   44    47    50    70.00000  112.17500
   44    47    52    90.00000  112.51600
   47    50    51    37.50000  110.70000
   47    50    57    50.00000  109.50000
   47    52    53    55.00000  108.50000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    47    48    37.50000  110.70000
   50    57    58    55.00000  108.50000
   57    50    51    35.00000  109.50000
   52    47    48    35.00000  109.50000
   52    47    50    50.00000  109.50000
   41    38    39    35.00000  109.50000
   41    38    40    90.00000  112.51600
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    57   0.56750  1.0 1.0
   29    33    50    57  -0.07550 -1.0 2.0
   29    33    50    57   0.20000  1.0 3.0
   33    38    40    43   0.04150 -1.0 2.0
   33    38    40    44   0.04150 -1.0 2.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    50    57    58  -0.11600  1.0 1.0
   33    50    57    58  -0.09450 -1.0 2.0
   33    50    57    58   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.43200  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    50    47   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    57   0.23400  1.0 3.0
   38    33    50    47   0.56750  1.0 1.0
   38    33    50    47  -0.07550 -1.0 2.0
   38    33    50    47   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    57   0.86500  1.0 1.0
   38    33    50    57  -0.17500 -1.0 2.0
   38    33    50    57   0.20800  1.0 3.0
   38    40    43    45   3.62500 -1.0 2.0
   38    40    43    64   3.62500 -1.0 2.0
   38    40    44    71   3.62500 -1.0 2.0
   38    40   -44    47   3.62500 -1.0 2.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42   0.31900  1.0 1.0
   40    38    41    42  -0.11800 -1.0 2.0
   40    38    41    42   0.38750  1.0 3.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    49   3.62500 -1.0 2.0
   40    43    64    61   3.62500 -1.0 2.0
   40    43    64    67   3.62500 -1.0 2.0
   40    44    47    48   0.00000  1.0 1.0
   40    44    47    50   0.04150 -1.0 2.0
   40    44    47    52   0.14300 -1.0 2.0
   40    44    47    52   0.00300  1.0 3.0
   43    40    44    71   3.62500 -1.0 2.0
   43    40    44    47   3.62500 -1.0 2.0
   43    45    49    54   3.62500 -1.0 2.0
   43    45    49    56   3.62500 -1.0 2.0
   43    64    67    68   3.62500 -1.0 2.0
   43    64   -67    71   3.62500 -1.0 2.0
   45    43    64    61   3.62500 -1.0 2.0
   45    43    64    67   3.62500 -1.0 2.0
   45    49    54    55   3.62500 -1.0 2.0
   45    49    54    59   3.62500 -1.0 2.0
   45    49    56    77   3.62500 -1.0 2.0
   45    49   -56    61   3.62500 -1.0 2.0
   46    45    49    54   3.62500 -1.0 2.0
   46    45    49    56   3.62500 -1.0 2.0
   49    54    59    60   3.62500 -1.0 2.0
   49    54    59    63   3.62500 -1.0 2.0
   49    56    61    62   3.62500 -1.0 2.0
   49    56    61    64   3.62500 -1.0 2.0
   54    49    56    77   3.62500 -1.0 2.0
   54    49    56    61   3.62500 -1.0 2.0
   54    59    63    65   3.62500 -1.0 2.0
   54    59   -63    77   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    54    59    63   3.62500 -1.0 2.0
   59    63    65    66   3.62500 -1.0 2.0
   59    63    65    69   3.62500 -1.0 2.0
   59    63    77    75   3.62500 -1.0 2.0
   59    63    77    56   3.62500 -1.0 2.0
   60    59    63    65   3.62500 -1.0 2.0
   60    59    63    77   3.62500 -1.0 2.0
   63    65    69    70   3.62500 -1.0 2.0
   63    65    69    73   3.62500 -1.0 2.0
   63    77   -56    49   3.62500 -1.0 2.0
   63    77    56    61   3.62500 -1.0 2.0
   65    63    77    75   3.62500 -1.0 2.0
   65    63    77    56   3.62500 -1.0 2.0
   65    69    73    74   3.62500 -1.0 2.0
   65    69   -73    75   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    73   3.62500 -1.0 2.0
   69    73    75    76   3.62500 -1.0 2.0
   69    73    75    77   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   70    69    73    75   3.62500 -1.0 2.0
   73    75   -77    63   3.62500 -1.0 2.0
   73    75    77    56   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    56    49   3.62500 -1.0 2.0
   75    77    56    61   3.62500 -1.0 2.0
   76    75    77    63   3.62500 -1.0 2.0
   76    75    77    56   3.62500 -1.0 2.0
   77    63    65    66   3.62500 -1.0 2.0
   77    63   -65    69   3.62500 -1.0 2.0
   77    56    61    62   3.62500 -1.0 2.0
   77    56    61    64   3.62500 -1.0 2.0
   56    49    54    55   3.62500 -1.0 2.0
   56    49   -54    59   3.62500 -1.0 2.0
   56    61   -64    43   3.62500 -1.0 2.0
   56    61    64    67   3.62500 -1.0 2.0
   61    64    67    68   3.62500 -1.0 2.0
   61    64    67    71   3.62500 -1.0 2.0
   62    61    64    43   3.62500 -1.0 2.0
   62    61    64    67   3.62500 -1.0 2.0
   64    43    45    46   3.62500 -1.0 2.0
   64    43   -45    49   3.62500 -1.0 2.0
   64    67    71    72   3.62500 -1.0 2.0
   64    67    71    44   3.62500 -1.0 2.0
   67    71   -44    40   3.62500 -1.0 2.0
   67    71    44    47   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    44   3.62500 -1.0 2.0
   71    44    47    48   0.00000  1.0 1.0
   71    44    47    50   0.04150 -1.0 2.0
   71    44    47    52   0.14300 -1.0 2.0
   71    44    47    52   0.00300  1.0 3.0
   72    71    44    40   3.62500 -1.0 2.0
   72    71    44    47   3.62500 -1.0 2.0
   44    40    43    45   3.62500 -1.0 2.0
   44    40   -43    64   3.62500 -1.0 2.0
   44    47   -50    33  -0.03700  1.0 1.0
   44    47   -50    33   0.37200 -1.0 2.0
   44    47   -50    33  -0.47300  1.0 3.0
   44    47    50    51   0.43200  1.0 3.0
   44    47    50    57   1.13150  1.0 1.0
   44    47    50    57  -1.01400 -1.0 2.0
   44    47    52    53   0.31900  1.0 1.0
   44    47    52    53  -0.11800 -1.0 2.0
   44    47    52    53   0.38750  1.0 3.0
   47    50    57    58  -0.11600  1.0 1.0
   47    50    57    58  -0.09450 -1.0 2.0
   47    50    57    58   0.21250  1.0 3.0
   48    47    50    33   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    57   0.23400  1.0 3.0
   48    47    52    53   0.19450  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40  -0.03700  1.0 1.0
   50    33   -38    40   0.37200 -1.0 2.0
   50    33   -38    40  -0.47300  1.0 3.0
   50    33    38    41   0.86500  1.0 1.0
   50    33    38    41  -0.17500 -1.0 2.0
   50    33    38    41   0.20800  1.0 3.0
   50    47    52    53  -0.11600  1.0 1.0
   50    47    52    53  -0.09450 -1.0 2.0
   50    47    52    53   0.21250  1.0 3.0
   51    50    57    58   0.19450  1.0 3.0
   52    47    50    33   0.86500  1.0 1.0
   52    47    50    33  -0.17500 -1.0 2.0
   52    47    50    33   0.20800  1.0 3.0
   52    47    50    51   0.23400  1.0 3.0
   52    47    50    57   3.75450  1.0 1.0
   41    38    40    43   0.14300 -1.0 2.0
   41    38    40    43   0.00300  1.0 3.0
   41    38    40    44   0.14300 -1.0 2.0
   41    38    40    44   0.00300  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   43    44    40    38   4.00000 -1.0 2.0
   45    64    43    40   4.00000 -1.0 2.0
   49    46    45    43   1.10000 -1.0 2.0
   54    56    49    45   4.00000 -1.0 2.0
   59    55    54    49   1.10000 -1.0 2.0
   63    60    59    54   1.10000 -1.0 2.0
   65    77    63    59   4.00000 -1.0 2.0
   69    66    65    63   1.10000 -1.0 2.0
   73    70    69    65   1.10000 -1.0 2.0
   75    74    73    69   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    56    77    63   4.00000 -1.0 2.0
   77    61    56    49   4.00000 -1.0 2.0
   64    62    61    56   1.10000 -1.0 2.0
   61    67    64    43   4.00000 -1.0 2.0
   71    68    67    64   1.10000 -1.0 2.0
   44    72    71    67   1.10000 -1.0 2.0
   71    47    44    40   4.00000 -1.0 2.0
END
