* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    142    237     426
    1     0 S   NP   _N1_     1    29.08390    93.74886   -23.76825
    2     1 S   H    _HN1     2     1.02825    26.18028   177.80929
    3     1 S   H    _H1_     3     1.02790   110.27545   -92.68627
    4     1 S   H    _H2_     4     1.02947    81.95398    14.01237
    5     1 S   CT   _CA1     5     1.50130   128.35515   123.69557
    6     5 S   HC   _HA1     6     1.09573   105.16501    81.72729
    7     5 S   CO3  _C1_     7     1.53774   112.47392   -38.47375
    8     7 S   O2Z  _O11     8     1.26376   115.00120   -41.98855
    9     7 S   O2Z  _O12     9     1.26236   114.94502   137.04433
   10     5 S   CT   _CB1    10     1.53064   107.39940  -160.30003
   11    10 S   HC   HB11    11     1.09839   109.33073   -49.38090
   12    10 S   HC   HB12    12     1.09811   110.46845    67.21479
   13    10 S   CT   _CG1    13     1.53008   112.64340  -170.32846
   14    13 S   HC   HG11    14     1.09574   110.70597   -67.09947
   15    13 S   HC   HG12    15     1.09670   109.72665    52.15101
   16    13 S   C    _CD1    16     1.51805   112.05852   172.61010
   17    16 S   O    _OE1    17     1.22745   123.23203    10.85569
   18    16 S   N    _N2_    18     1.38632   111.79098  -169.22775
   19    18 S   H    _HN2    19     1.01594   118.95728     1.06845
   20    18 S   CT1  _CA2    20     1.46209   123.39271   176.82005
   21    20 S   HC   _HA2    21     1.09740   109.37040     6.27417
   22    20 S   C    _C2_    22     1.53602   108.73503  -109.28830
   23    22 S   O    _O2_    23     1.23070   122.24105  -147.64945
   24    20 S   CT   _CB2    32     1.53366   111.47662   128.30247
   25    24 S   HC   HB21    33     1.09464   109.73982    57.05532
   26    24 S   HC   HB22    34     1.09459   109.81481   175.83059
   27    22 S   N    _N3_    24     1.38316   113.80550    39.81165
   28    27 S   H    _HN3    25     1.01559   119.64174    -3.17761
   29    24 S   S    _SG2    35     1.83076   111.13131   -64.97136
   30    27 S   CT   _CA3    26     1.45284   123.22516   177.18450
   31    30 S   HC   HA31    27     1.09549   107.51296   -64.54522
   32    30 S   HC   HA32    28     1.09556   107.98384    51.89589
   33    29 S   CT   _C19    36     1.86717   101.60485   164.19810
   34    30 S   CO3  _C3_    29     1.52965   114.07817   173.89635
   35    34 S   O2Z  _O31    30     1.26379   116.09232    -0.52860
   36    34 S   O2Z  _O32    31     1.26430   114.41330   179.51989
   37    33 S   CO4  _C18    37     1.52110   105.64239   177.14028
   38    37 S   O    _O37    38     1.22428   125.53684    47.66501
   39    33 S   CO4  _C20    70     1.52820   107.12126    56.94835
   40    39 S   O    _O33    71     1.23334   121.48459   -89.01212
   41    33 S   C    _C23    74     1.53923   109.13000   -66.57190
   42    41 S   O    _O36    75     1.22957   124.39557   -16.86762
   43    37 S   CO4  _C17    39     1.50572   117.23008  -137.39347
   44    43 S   O    _O38    40     1.22436   117.60470  -142.47547
   45    41 S   N    _N4_    76     1.37901   114.15584   166.63999
   46    45 S   H    _H13    77     1.01404   123.72597    -3.50319
   47    45 S   H    _H14    78     1.01473   119.80683   178.64419
   48    43 S   CT   _C16    41     1.51616   118.64515    38.79261
   49    48 S   HC   _H3_    42     1.10069   104.10401  -125.29471
   50    48 S   CT   _C15    43     1.53061   110.41727   119.90758
   51    50 S   HC   _H10    44     1.09706   110.50234   166.05019
   52    50 S   HC   _H11    45     1.09465   107.56634    49.14551
   53    50 S   CA   _C14    46     1.51315   111.73977   -73.10230
   54    53 S   CA   _C13    47     1.40075   118.89668   -37.64418
   55    54 S   CA   _C12    48     1.40520   120.33425   178.17372
   56    54 S   CO4  _C22    67     1.48911   118.76253    -2.85458
   57    56 S   O    _O34    68     1.23014   119.65998  -154.92307
   58    55 S   CA   _C11    49     1.42109   121.87403    -0.95491
   59    55 S   OH   _O39    65     1.37574   120.33587  -179.45177
   60    59 S   HO   _H15    66     0.97229   110.12393    -7.72197
   61    48 S   CT   _C21    69     1.52140   114.93789    -7.43134
   62    58 S   CA   _C6_    50     1.42229   117.86552     2.49575
   63    61 S   OH   _O35    72     1.43185   107.09840  -153.69361
   64    63 S   HO   _H12    73     0.97462   107.78822   175.06446
   65    62 S   CA   _C7_    51     1.41827   117.86621  -178.83165
   66    65 S   HA   _H7_    52     1.08757   121.11577   177.97648
   67    53 S   CA   _C5_    60     1.41691   121.91706   144.52685
   68    65 S   CA   _C8_    53     1.39389   122.73845    -1.06716
   69    68 S   HA   _H8_    54     1.08607   120.06072  -179.97202
   70    67 S   CT   _C4_    61     1.51624   119.51162     3.52703
   71    70 S   HC   _H4_    62     1.09397   110.12374   -91.97978
   72    70 S   HC   _H5_    63     1.09407   111.95141    29.87710
   73    70 S   HC   _H6_    64     1.09401   111.79573   145.91905
   74    68 S   CA   _C9_    55     1.38104   119.64698     0.17471
   75    74 S   HA   _H9_    56     1.08599   119.46077  -179.91607
   76    58 S   CA   _C10    57     1.42709   124.21755  -177.62323
   77    76 S   OH   _O40    58     1.37435   120.13388    -0.35054
   78    77 S   HO   _H16    59     0.97172   109.40652   179.63792
  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   2   1   1  12   5  14   5   6   3  10   4   2   1   1  12
   7  11   5   4  14  12  12   7   2  13   3   1   2  12   1   1
   8   4   6   5   3   3   2   1   1   4   2   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    61    39    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    56    61    39    40    63    41    42    45    46    47  
   35    36  
   36  
    0  
   38    43    44    48    49    50    61    39    40    41    42    45  
   43    44    48    39    41  
   40    63    64    41    42    45    43    48    49    50    54    56    57    61  
   63    41    48    56    61  
   42    45    46    47    43    61  
   45    46    47  
   44    48    49    50    51    52    53    56    61    63  
   48    49    50    61  
   46    47  
   47  
    0  
   49    50    51    52    53    54    67    56    57    61    63    64  
   50    51    52    53    56    61    63  
   51    52    53    54    55    62    67    70    56    61    63  
   52    53    54    67    61  
   53    54    67    61  
   54    55    58    62    65    67    70    71    72    73    59    56    57    61  
   55    58    62    76    67    70    59    60    56    57    61    63  
   58    62    65    74    76    77    67    59    60    56    57    61  
   57    61    63    64    58    59    67  
   61    63  
   62    65    66    68    74    75    76    77    78    67    70    59    60  
   60    62    76  
    0  
   63    64  
   65    66    68    69    74    76    77    67    70    71    72    73  
   64  
    0  
   66    68    69    74    75    76    67    70  
   68    69    74    67  
   70    71    72    73    68    76  
   69    74    75    76    77  
   74    75    76  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78  
   76    77  
   77    78  
   78  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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  1.522
   33    39   317.000  1.522
   33    41   317.000  1.522
   37    38   570.000  1.229
   37    43   250.000  1.523
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    61   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   317.000  1.510
   53    54   469.000  1.400
   53    67   469.000  1.400
   54    55   469.000  1.400
   54    56   310.000  1.470
   55    58   469.000  1.400
   55    59   450.000  1.364
   58    62   469.000  1.400
   58    76   469.000  1.400
   62    65   469.000  1.400
   62    67   469.000  1.400
   65    66   367.000  1.080
   65    68   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   450.000  1.364
   77    78   553.000  0.945
   67    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   59    60   553.000  0.945
   56    57   570.000  1.229
   56    61   317.000  1.522
   61    39   317.000  1.522
   61    63   320.000  1.410
   39    40   570.000  1.229
   63    64   553.000  0.945
   41    42   570.000  1.229
   41    45   490.000  1.335
   45    46   434.000  1.010
   45    47   434.000  1.010
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  110.18000
   29    33    39    75.00000  110.18000
   29    33    41    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.45000
   33    39    61    70.00000  116.00000
   33    39    40    80.00000  120.40000
   33    41    42    80.00000  120.40000
   33    41    45    70.00000  116.60000
   37    43    44    80.00000  119.30300
   37    43    48    65.00000  115.45000
   43    37    38    80.00000  119.30300
   43    48    49    35.00000  109.50000
   43    48    50    63.00000  111.10000
   43    48    61    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    53    70.00000  112.17500
   48    61    56    63.00000  111.10000
   48    61    39    63.00000  111.10000
   48    61    63    50.00000  109.50000
   50    48    49    37.50000  110.70000
   50    53    54    70.00000  120.00000
   50    53    67    70.00000  120.00000
   52    50    51    33.00000  107.80000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   53    54    55    63.00000  120.00000
   53    54    56    60.00000  119.52600
   53    67    62    63.00000  120.00000
   53    67    70    70.00000  120.00000
   54    55    58    63.00000  120.00000
   54    55    59    70.00000  120.00000
   54    56    57    75.00000  123.78400
   54    56    61    65.00000  115.47100
   55    58    62    63.00000  120.00000
   55    58    76    63.00000  120.00000
   55    59    60    35.00000  113.00000
   58    62    65    63.00000  120.00000
   58    62    67    63.00000  120.00000
   58    76    74    63.00000  120.00000
   58    76    77    70.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    68    63.00000  120.00000
   62    67    70    70.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    74    63.00000  120.00000
   68    65    66    35.00000  120.00000
   68    74    75    35.00000  120.00000
   68    74    76    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    76    77    70.00000  120.00000
   76    58    62    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  113.00000
   67    53    54    63.00000  120.00000
   67    62    65    63.00000  120.00000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   59    55    58    70.00000  120.00000
   56    54    55    60.00000  119.52600
   56    61    39    75.00000  107.99600
   56    61    63    90.00000  109.61100
   61    48    49    37.50000  110.70000
   61    48    50    58.35000  112.70000
   61    56    57    80.00000  120.40000
   61    39    40    80.00000  120.40000
   61    63    64    55.00000  108.50000
   39    33    37    75.00000  107.99600
   63    61    39    90.00000  109.61100
   41    33    37    70.00000  107.85200
   41    33    39    70.00000  107.85200
   41    45    46    35.00000  119.80000
   41    45    47    35.00000  119.80000
   45    41    42    80.00000  122.90000
   47    45    46    35.00000  120.00000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    61   0.65300  1.0 1.0
   29    33    39    61  -0.03850 -1.0 2.0
   29    33    39    61   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    41    42   0.30150 -1.0 2.0
   29    33    41    45   0.00000  1.0 1.0
   33    37    43    44   0.49600 -1.0 2.0
   33    37    43    48   0.77650  1.0 1.0
   33    37    43    48   2.21050 -1.0 2.0
   33    41    45    46   2.45000 -1.0 2.0
   33    41    45    47   2.45000 -1.0 2.0
   37    33    39    61   0.65300  1.0 1.0
   37    33    39    61  -0.03850 -1.0 2.0
   37    33    39    61   0.33900  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    41    42   0.30150 -1.0 2.0
   37    33    41    45   0.00000  1.0 1.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.65300  1.0 1.0
   37    43    48    50  -0.03850 -1.0 2.0
   37    43    48    50   0.33900  1.0 3.0
   37    43   -48    61   0.65300  1.0 1.0
   37    43   -48    61  -0.03850 -1.0 2.0
   37    43   -48    61   0.33900  1.0 3.0
   38    37    43    44   0.06100 -1.0 2.0
   38    37    43    48   0.49600 -1.0 2.0
   43    48    50    51  -0.11250  1.0 3.0
   43    48    50    52  -0.11250  1.0 3.0
   43    48    50    53   0.56750  1.0 1.0
   43    48    50    53  -0.07550 -1.0 2.0
   43    48    50    53   0.20000  1.0 3.0
   43    48    61    56   0.11950  1.0 1.0
   43    48    61    56   0.20300 -1.0 2.0
   43    48    61    56  -0.70800  1.0 3.0
   43    48    61    39   0.11950  1.0 1.0
   43    48    61    39   0.20300 -1.0 2.0
   43    48    61    39  -0.70800  1.0 3.0
   43    48    61    63  -0.09450  1.0 1.0
   43    48    61    63  -1.12950 -1.0 2.0
   43    48    61    63   0.54000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.30150 -1.0 2.0
   44    43    48    61   0.30150 -1.0 2.0
   48    50    53    54   0.04150 -1.0 2.0
   48    50    53    67   0.04150 -1.0 2.0
   48    61   -39    33   0.60050  1.0 1.0
   48    61   -39    33   0.05600 -1.0 2.0
   48    61   -39    33   0.26150  1.0 3.0
   48    61    39    40   0.30150 -1.0 2.0
   48    61    63    64  -0.11600  1.0 1.0
   48    61    63    64  -0.09450 -1.0 2.0
   48    61    63    64   0.21250  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.43200  1.0 3.0
   49    48    61    56  -0.11250  1.0 3.0
   49    48    61    39  -0.11250  1.0 3.0
   49    48    61    63   0.23400  1.0 3.0
   50    48    61    56  -0.95700  1.0 1.0
   50    48    61    56  -0.18200 -1.0 2.0
   50    48    61    56   0.29450  1.0 3.0
   50    48    61    39  -0.95700  1.0 1.0
   50    48    61    39  -0.18200 -1.0 2.0
   50    48    61    39   0.29450  1.0 3.0
   50    48    61    63   0.86500  1.0 1.0
   50    48    61    63  -0.17500 -1.0 2.0
   50    48    61    63   0.20800  1.0 3.0
   50    53    54    55   3.62500 -1.0 2.0
   50    53   -54    56   3.62500 -1.0 2.0
   50    53    67    62   3.62500 -1.0 2.0
   50    53    67    70   3.62500 -1.0 2.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    67   0.00000  1.0 1.0
   52    50    53    54   0.00000  1.0 1.0
   52    50    53    67   0.00000  1.0 1.0
   53    54    55    58   3.62500 -1.0 2.0
   53    54    55    59   3.62500 -1.0 2.0
   53    54    56    57   1.05000 -1.0 2.0
   53    54    56    61   2.26350  1.0 1.0
   53    54    56    61   0.76750 -1.0 2.0
   53    54    56    61   0.22500  1.0 3.0
   53    67    70    71   0.00000  1.0 1.0
   53    67    70    72   0.00000  1.0 1.0
   53    67    70    73   0.00000  1.0 1.0
   54    53    67    62   3.62500 -1.0 2.0
   54    53    67    70   3.62500 -1.0 2.0
   54    55   -58    62   3.62500 -1.0 2.0
   54    55    58    76   3.62500 -1.0 2.0
   54    55    59    60   0.84100 -1.0 2.0
   54    56   -61    48   0.05850 -1.0 2.0
   54    56   -61    48   0.17250  1.0 3.0
   54    56    61    39   0.65300  1.0 1.0
   54    56    61    39  -0.03850 -1.0 2.0
   54    56    61    39   0.33900  1.0 3.0
   54    56    61    63   0.65300  1.0 1.0
   54    56    61    63  -0.03850 -1.0 2.0
   54    56    61    63   0.33900  1.0 3.0
   55    54    56    57   1.05000 -1.0 2.0
   55    54    56    61   2.26350  1.0 1.0
   55    54    56    61   0.76750 -1.0 2.0
   55    54    56    61   0.22500  1.0 3.0
   55    58    62    65   3.62500 -1.0 2.0
   55    58    62    67   3.62500 -1.0 2.0
   55    58    76    74   3.62500 -1.0 2.0
   55    58    76    77   3.62500 -1.0 2.0
   58    55    59    60   0.84100 -1.0 2.0
   58    62    65    66   3.62500 -1.0 2.0
   58    62    65    68   3.62500 -1.0 2.0
   58    62   -67    53   3.62500 -1.0 2.0
   58    62    67    70   3.62500 -1.0 2.0
   58    76    77    78   0.84100 -1.0 2.0
   62    58    76    74   3.62500 -1.0 2.0
   62    58    76    77   3.62500 -1.0 2.0
   62    65    68    69   3.62500 -1.0 2.0
   62    65   -68    74   3.62500 -1.0 2.0
   62    67    70    71   0.00000  1.0 1.0
   62    67    70    72   0.00000  1.0 1.0
   62    67    70    73   0.00000  1.0 1.0
   65    62    67    53   3.62500 -1.0 2.0
   65    62    67    70   3.62500 -1.0 2.0
   65    68    74    75   3.62500 -1.0 2.0
   65    68    74    76   3.62500 -1.0 2.0
   66    65    68    69   3.62500 -1.0 2.0
   66    65    68    74   3.62500 -1.0 2.0
   68    74   -76    58   3.62500 -1.0 2.0
   68    74    76    77   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   69    68    74    76   3.62500 -1.0 2.0
   74    76    77    78   0.84100 -1.0 2.0
   75    74    76    58   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    58   -62    65   3.62500 -1.0 2.0
   76    58    62    67   3.62500 -1.0 2.0
   67    53   -54    55   3.62500 -1.0 2.0
   67    53    54    56   3.62500 -1.0 2.0
   67    62    65    66   3.62500 -1.0 2.0
   67    62    65    68   3.62500 -1.0 2.0
   59    55    58    62   3.62500 -1.0 2.0
   59    55    58    76   3.62500 -1.0 2.0
   56    54    55    58   3.62500 -1.0 2.0
   56    54    55    59   3.62500 -1.0 2.0
   56    61    39    33   0.65300  1.0 1.0
   56    61    39    33  -0.03850 -1.0 2.0
   56    61    39    33   0.33900  1.0 3.0
   56    61    39    40   0.30150 -1.0 2.0
   56    61    63    64   0.91850  1.0 1.0
   56    61    63    64   0.57950  1.0 3.0
   57    56    61    48   0.30150 -1.0 2.0
   57    56    61    39   0.30150 -1.0 2.0
   57    56    61    63   0.30150 -1.0 2.0
   61    48    50    51   0.15000  1.0 3.0
   61    48    50    52   0.15000  1.0 3.0
   61    48   -50    53  -0.03700  1.0 1.0
   61    48   -50    53   0.37200 -1.0 2.0
   61    48   -50    53  -0.47300  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.65300  1.0 1.0
   39    33   -37    43  -0.03850 -1.0 2.0
   39    33   -37    43   0.33900  1.0 3.0
   39    33    41    42   0.30150 -1.0 2.0
   39    33    41    45   0.00000  1.0 1.0
   39    61    63    64   0.91850  1.0 1.0
   39    61    63    64   0.57950  1.0 3.0
   63    61    39    33   0.55300  1.0 1.0
   63    61    39    33   1.25850 -1.0 2.0
   63    61    39    33  -0.23600  1.0 3.0
   63    61    39    40   0.30150 -1.0 2.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.65300  1.0 1.0
   41    33    37    43  -0.03850 -1.0 2.0
   41    33    37    43   0.33900  1.0 3.0
   41    33    39    61   0.65300  1.0 1.0
   41    33    39    61  -0.03850 -1.0 2.0
   41    33    39    61   0.33900  1.0 3.0
   41    33    39    40   0.30150 -1.0 2.0
   42    41    45    46   2.45000 -1.0 2.0
   42    41    45    47   2.45000 -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    43    37    38  10.50000 -1.0 2.0
   37    48    43    44  10.50000 -1.0 2.0
   54    67    53    50   4.00000 -1.0 2.0
   55    56    54    53   4.00000 -1.0 2.0
   58    59    55    54   4.00000 -1.0 2.0
   62    76    58    55   4.00000 -1.0 2.0
   65    67    62    58   4.00000 -1.0 2.0
   68    66    65    62   1.10000 -1.0 2.0
   74    69    68    65   1.10000 -1.0 2.0
   76    75    74    68   1.10000 -1.0 2.0
   74    77    76    58   4.00000 -1.0 2.0
   62    70    67    53   4.00000 -1.0 2.0
   54    61    56    57  10.50000 -1.0 2.0
   33    61    39    40  10.50000 -1.0 2.0
   33    45    41    42  10.50000 -1.0 2.0
   47    41    45    46   1.00000 -1.0 2.0
END
