* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    141    212     422
    1     0 S   NP   _N1_     1    29.11097    91.97962   -23.34694
    2     1 S   H    _HN1     2     1.02789    86.06965  -112.94979
    3     1 S   H    _H1_     3     1.02855   109.59252    -4.96594
    4     1 S   H    _H2_     4     1.02976    22.62943    83.00267
    5     1 S   CT   _CA1     5     1.50503   126.03316   132.45062
    6     5 S   HC   _HA1     6     1.09668   104.71594    45.72982
    7     5 S   CO3  _C1_     7     1.54588   110.96538   -70.36324
    8     7 S   O2Z  _O11     8     1.26106   116.78455  -123.35431
    9     7 S   O2Z  _O12     9     1.26554   113.75557    55.70280
   10     5 S   CT   _CB1    10     1.53065   107.06113   162.14503
   11    10 S   HC   HB11    11     1.09827   110.38847   -40.60558
   12    10 S   HC   HB12    12     1.09796   109.72158    75.94616
   13    10 S   CT   _CG1    13     1.53139   112.36454  -161.25500
   14    13 S   HC   HG11    14     1.09537   110.88001   -46.80678
   15    13 S   HC   HG12    15     1.09621   110.02519    72.05675
   16    13 S   C    _CD1    16     1.51719   111.81672  -167.62532
   17    16 S   O    _OE1    17     1.22753   123.11986   -13.92445
   18    16 S   N    _N2_    18     1.38588   111.82915   166.08448
   19    18 S   H    _HN2    19     1.01568   119.23340     4.48314
   20    18 S   CT1  _CA2    20     1.46167   123.10729  -173.15221
   21    20 S   HC   _HA2    21     1.09724   109.34401    -5.74747
   22    20 S   C    _C2_    22     1.53308   108.96910  -121.87453
   23    22 S   O    _O2_    23     1.23033   122.12080  -146.23366
   24    20 S   CT   _CB2    32     1.53517   111.17474   115.57233
   25    24 S   HC   HB21    33     1.09613   109.79043    61.30614
   26    24 S   HC   HB22    34     1.09528   110.34232  -179.73312
   27    22 S   N    _N3_    24     1.38474   113.48850    41.13890
   28    27 S   H    _HN3    25     1.01515   118.94380    -0.45413
   29    24 S   S    _SG2    35     1.82714   111.86405   -59.12240
   30    27 S   CT   _CA3    26     1.45442   123.37837   175.24222
   31    30 S   HC   HA31    27     1.09528   109.17439    25.79989
   32    30 S   HC   HA32    28     1.09495   107.14212   142.77203
   33    29 S   CT   _C12    36     1.82787    99.09118   176.59763
   34    33 S   HC   _H3_    37     1.09219   106.93322    81.72675
   35    33 S   HC   _H4_    38     1.09491   108.51338   -35.83119
   36    30 S   CO3  _C3_    29     1.52920   113.13637   -97.64550
   37    36 S   O2Z  _O31    30     1.26399   115.39985   -45.36441
   38    36 S   O2Z  _O32    31     1.26356   114.99190   135.58456
   39    33 S   CT   _C14    39     1.53757   110.17209  -156.48079
   40    39 S   HC   _H37    40     1.09767   110.37530   -46.36557
   41    39 S   CT   _C15    41     1.54980   112.43582  -169.00028
   42    41 S   HC   _H38    42     1.09424   108.10703  -168.97268
   43    39 S   OS1  _O20    56     1.44182   106.67674    73.66617
   44    41 S   CT   _C13    43     1.53873   113.96326    69.53099
   45    44 S   HC   _H36    44     1.09570   109.48204   -61.86775
   46    41 S   OH   _O19    54     1.42924   109.70816   -53.04165
   47    46 S   HO   _H44    55     0.97363   106.79530   -53.78078
   48    43 S   CO1  _C8_    57     1.43605   114.02164  -137.22353
   49    48 S   HC   _H26    58     1.09802   108.23096    57.05303
   50    44 S   CT   _C11    45     1.53871   113.84357   178.69329
   51    50 S   HC   _H32    46     1.09588   110.12939    61.12197
   52    50 S   HC   _H33    47     1.09734   108.42048   177.70535
   53    44 S   OH   _O18    52     1.42528   109.32560    55.78296
   54    53 S   HO   _H43    53     0.97243   107.67688  -178.91863
   55    48 S   CT   _C6_    59     1.53483   106.98162   175.95799
   56    55 S   HC   _H24    60     1.09698   109.61033    50.92768
   57    50 S   CT   _C9_    48     1.52359   114.41344   -62.43762
   58    57 S   HC   _H27    49     1.09425   111.48285   -55.30895
   59    57 S   HC   _H28    50     1.09373   111.51091    66.16126
   60    57 S   HC   _H29    51     1.09496   109.89129  -174.79858
   61    55 S   CT   _C4_    61     1.53187   111.88118   172.79257
   62    61 S   HC   _H22    62     1.09549   110.48199    75.28015
   63    55 S   OH5  _O16    77     1.42993   109.81420   -65.25262
   64    63 S   HO   _H41    78     0.97624   108.08300   -69.10901
   65    61 S   CT   _C5_    63     1.53139   111.58602   -47.35820
   66    65 S   HC   _H23    64     1.09703   109.11813   -71.75330
   67    61 S   OH5  _O14    75     1.43014   109.56257  -168.76492
   68    67 S   HO   _H39    76     0.97213   108.13819    60.30173
   69    65 S   CT   _C7_    65     1.53120   110.50406    49.46068
   70    69 S   HC   _H25    66     1.09830   111.07068    63.36577
   71    65 S   OH5  _O15    73     1.42609   109.75362   171.31558
   72    71 S   HO   _H40    74     0.97276   108.11363   -55.62026
   73    48 S   OS1  _O13    67     1.42672   110.98788   -64.07782
   74    69 S   CT   _C10    68     1.52972   111.59804  -175.60448
   75    74 S   HC   _H30    69     1.09508   110.99655    68.91181
   76    74 S   HC   _H31    70     1.09394   111.58170   -53.51533
   77    74 S   OH5  _O17    71     1.42510   109.03885  -172.48462
   78    77 S   HO   _H42    72     0.97228   107.04412  -177.80563
  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   7   5   4   3
  10   5   4   2   1   1  14   6  13   7  10  12   7   3   1  13
   6   8   6   5   2   1  12   7   3   2   1   1  13   7   4   1
  12   7   3   1   9   6   3   1   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    46    43    48  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    44    45    50    53    46    47    43    48    49    55    73  
   41    42    44    46    43    48  
   42    44    45    50    51    52    57    53    54    46    47    43    48  
   44    45    50    53    46    47    43  
   48    49    55    56    61    69    73    63    44    46  
   45    50    51    52    57    58    59    60    53    54    46    47  
   50    51    52    57    53    54    46  
   47    50    53  
    0  
   49    55    56    61    62    65    69    70    73    74    67    63    64  
   55    56    61    69    73    63  
   51    52    57    58    59    60    53    54  
   52    57    58    59    60    53  
   57    58    59    60    53  
   54    57  
    0  
   56    61    62    65    66    69    73    71    67    68    63    64  
   61    62    65    73    67    63    64  
   58    59    60  
   59    60  
   60  
    0  
   62    65    66    69    70    73    74    71    72    67    68    63    64  
   65    66    69    71    67    68    63  
   64    65    67    73  
    0  
   66    69    70    73    74    75    76    77    71    72    67    68  
   69    70    73    74    71    72    67  
   68    69    71  
    0  
   70    73    74    75    76    77    78    71    72  
   73    74    75    76    77    71  
   72    73    74  
    0  
   74    75    76    77  
   75    76    77    78  
   76    77    78  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   335.000  1.422
   41    42   340.000  1.090
   41    44   268.000  1.529
   41    46   320.000  1.410
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    53   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   53    54   553.000  0.945
   46    47   553.000  0.945
   43    48   370.000  1.399
   48    49   360.000  1.097
   48    55   255.000  1.525
   48    73   370.000  1.399
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    63   355.000  1.421
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   335.000  1.422
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   355.000  1.421
   77    78   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   63    64   580.000  0.967
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    95.00000  107.88500
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    44    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    43    48    90.00000  112.10700
   41    39    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    50    58.35000  112.70000
   41    44    53    50.00000  109.50000
   41    46    47    55.00000  108.50000
   44    41    42    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    57    58.35000  112.70000
   44    53    54    55.00000  108.50000
   50    44    45    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   53    44    45    35.00000  109.50000
   53    44    50    50.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    44    50.00000  109.50000
   43    39    40    55.00000  108.98800
   43    39    41    95.00000  107.88500
   43    48    49    60.00000  105.75400
   43    48    55    90.00000  109.70700
   43    48    73   110.00000  113.16000
   48    55    56    45.00000  109.54000
   48    55    61    70.00000  111.10000
   48    55    63    90.00000  109.42000
   48    73    69    90.00000  112.10700
   55    48    49    45.00000  111.65000
   55    61    62    37.50000  110.70000
   55    61    65    58.35000  112.70000
   55    61    67    90.00000  111.45300
   55    63    64    65.00000  108.53500
   61    55    56    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    69    58.35000  112.70000
   61    65    71    90.00000  111.45300
   61    67    68    65.00000  108.53500
   65    61    62    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    95.00000  107.88500
   65    69    74    58.35000  112.70000
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    77    90.00000  111.45300
   73    48    49    60.00000  105.75400
   73    48    55    90.00000  109.70700
   73    69    70    55.00000  108.98800
   74    69    70    37.50000  110.70000
   74    69    73    95.00000  107.88500
   74    77    78    65.00000  108.53500
   76    74    75    33.00000  107.80000
   77    74    75    60.00000  109.39000
   77    74    76    60.00000  109.39000
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    61    62    60.00000  109.39000
   67    61    65    90.00000  111.45300
   63    55    56    60.00000  109.39000
   63    55    61    90.00000  111.45300
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    44   0.56750  1.0 1.0
   33    39    41    44  -0.07550 -1.0 2.0
   33    39    41    44   0.20000  1.0 3.0
   33    39    41    46   0.86500  1.0 1.0
   33    39    41    46  -0.17500 -1.0 2.0
   33    39    41    46   0.20800  1.0 3.0
   33    39    43    48   0.06250  1.0 1.0
   33    39    43    48  -0.01100 -1.0 2.0
   33    39    43    48   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    44    45   0.15000  1.0 3.0
   39    41    44    50   0.56750  1.0 1.0
   39    41    44    50  -0.07550 -1.0 2.0
   39    41    44    50   0.20000  1.0 3.0
   39    41    44    53   0.86500  1.0 1.0
   39    41    44    53  -0.17500 -1.0 2.0
   39    41    44    53   0.20800  1.0 3.0
   39    41    46    47  -0.11600  1.0 1.0
   39    41    46    47  -0.09450 -1.0 2.0
   39    41    46    47   0.21250  1.0 3.0
   39    43    48    49   0.37050  1.0 3.0
   39    43    48    55   0.06250  1.0 1.0
   39    43    48    55  -0.01100 -1.0 2.0
   39    43    48    55   0.28050  1.0 3.0
   39    43    48    73  -0.12700  1.0 1.0
   39    43    48    73  -1.16200 -1.0 2.0
   39    43    48    73   0.58800  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    44   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    43    48   0.37050  1.0 3.0
   41    39    43    48   0.06250  1.0 1.0
   41    39    43    48  -0.01100 -1.0 2.0
   41    39    43    48   0.28050  1.0 3.0
   41    44    50    51   0.15000  1.0 3.0
   41    44    50    52   0.15000  1.0 3.0
   41    44    50    57   0.56750  1.0 1.0
   41    44    50    57  -0.07550 -1.0 2.0
   41    44    50    57   0.20000  1.0 3.0
   41    44    53    54  -0.11600  1.0 1.0
   41    44    53    54  -0.09450 -1.0 2.0
   41    44    53    54   0.21250  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    50   0.15000  1.0 3.0
   42    41    44    53   0.23400  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   44    41    46    47  -0.11600  1.0 1.0
   44    41    46    47  -0.09450 -1.0 2.0
   44    41    46    47   0.21250  1.0 3.0
   44    50    57    58   0.15000  1.0 3.0
   44    50    57    59   0.15000  1.0 3.0
   44    50    57    60   0.15000  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    57   0.15000  1.0 3.0
   45    44    53    54   0.19450  1.0 3.0
   50    44    53    54  -0.11600  1.0 1.0
   50    44    53    54  -0.09450 -1.0 2.0
   50    44    53    54   0.21250  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    60   0.15000  1.0 3.0
   53    44    50    51   0.23400  1.0 3.0
   53    44    50    52   0.23400  1.0 3.0
   53    44    50    57   0.86500  1.0 1.0
   53    44    50    57  -0.17500 -1.0 2.0
   53    44    50    57   0.20800  1.0 3.0
   46    41    44    45   0.23400  1.0 3.0
   46    41    44    50   0.86500  1.0 1.0
   46    41    44    50  -0.17500 -1.0 2.0
   46    41    44    50   0.20800  1.0 3.0
   46    41    44    53   3.75450  1.0 1.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    44   0.62750  1.0 1.0
   43    39    41    44  -0.30950 -1.0 2.0
   43    39    41    44   0.27300  1.0 3.0
   43    39    41    46   3.69350  1.0 1.0
   43    39    41    46  -1.82950 -1.0 2.0
   43    48    55    56   0.23400  1.0 3.0
   43    48    55    61   0.62750  1.0 1.0
   43    48    55    61  -0.30950 -1.0 2.0
   43    48    55    61   0.27300  1.0 3.0
   43    48    55    63   1.51850  1.0 1.0
   43    48    73    69  -0.70400  1.0 1.0
   43    48    73    69  -0.90350 -1.0 2.0
   48    55    61    62   0.15000  1.0 3.0
   48    55    61    65   0.56750  1.0 1.0
   48    55    61    65  -0.07550 -1.0 2.0
   48    55    61    65   0.20000  1.0 3.0
   48    55    61    67  -0.47750  1.0 1.0
   48    55    63    64   0.29150  1.0 1.0
   48    55    63    64  -0.28350 -1.0 2.0
   48    55    63    64   0.43600  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    61   0.15000  1.0 3.0
   49    48    55    63   0.23400  1.0 3.0
   49    48    73    69   0.37050  1.0 3.0
   55    48    73    69   0.06250  1.0 1.0
   55    48    73    69  -0.01100 -1.0 2.0
   55    48    73    69   0.28050  1.0 3.0
   55    61    65    66   0.15000  1.0 3.0
   55    61   -65    69   0.56750  1.0 1.0
   55    61   -65    69  -0.07550 -1.0 2.0
   55    61   -65    69   0.20000  1.0 3.0
   55    61    65    71  -0.47750  1.0 1.0
   55    61    67    68   0.29150  1.0 1.0
   55    61    67    68  -0.28350 -1.0 2.0
   55    61    67    68   0.43600  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    65   0.15000  1.0 3.0
   56    55    61    67   0.23400  1.0 3.0
   56    55    63    64   0.19450  1.0 3.0
   61    55    63    64   0.29150  1.0 1.0
   61    55    63    64  -0.28350 -1.0 2.0
   61    55    63    64   0.43600  1.0 3.0
   61    65    69    70   0.15000  1.0 3.0
   61    65    69    73   0.62750  1.0 1.0
   61    65    69    73  -0.30950 -1.0 2.0
   61    65    69    73   0.27300  1.0 3.0
   61    65    69    74   0.56750  1.0 1.0
   61    65    69    74  -0.07550 -1.0 2.0
   61    65    69    74   0.20000  1.0 3.0
   61    65    71    72   0.29150  1.0 1.0
   61    65    71    72  -0.28350 -1.0 2.0
   61    65    71    72   0.43600  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    69   0.15000  1.0 3.0
   62    61    65    71   0.23400  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   65    61    67    68   0.29150  1.0 1.0
   65    61    67    68  -0.28350 -1.0 2.0
   65    61    67    68   0.43600  1.0 3.0
   65    69   -73    48   0.06250  1.0 1.0
   65    69   -73    48  -0.01100 -1.0 2.0
   65    69   -73    48   0.28050  1.0 3.0
   65    69    74    75   0.15000  1.0 3.0
   65    69    74    76   0.15000  1.0 3.0
   65    69    74    77  -0.47750  1.0 1.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.23400  1.0 3.0
   66    65    69    74   0.15000  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    74    77    78   0.29150  1.0 1.0
   69    74    77    78  -0.28350 -1.0 2.0
   69    74    77    78   0.43600  1.0 3.0
   70    69    73    48   0.37050  1.0 3.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    76   0.15000  1.0 3.0
   70    69    74    77   0.23400  1.0 3.0
   73    48    55    56   0.23400  1.0 3.0
   73    48   -55    61   0.62750  1.0 1.0
   73    48   -55    61  -0.30950 -1.0 2.0
   73    48   -55    61   0.27300  1.0 3.0
   73    48    55    63   1.51850  1.0 1.0
   73    69    74    75   0.23400  1.0 3.0
   73    69    74    76   0.23400  1.0 3.0
   73    69    74    77   1.51850  1.0 1.0
   74    69    73    48   0.06250  1.0 1.0
   74    69    73    48  -0.01100 -1.0 2.0
   74    69    73    48   0.28050  1.0 3.0
   75    74    77    78   0.19450  1.0 3.0
   76    74    77    78   0.19450  1.0 3.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73   1.51850  1.0 1.0
   71    65    69    74  -0.47750  1.0 1.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    69  -0.47750  1.0 1.0
   67    61    65    71   3.77950  1.0 1.0
   63    55    61    62   0.23400  1.0 3.0
   63    55    61    65  -0.47750  1.0 1.0
   63    55    61    67   3.77950  1.0 1.0
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
   38    30    36    37  10.50000 -1.0 2.0
END
