* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    217     406
    1     0 S   NP   _N1_     1    29.03681    94.23177   -24.43362
    2     1 S   H    _HN1     2     1.02784   112.88028   -83.12949
    3     1 S   H    _H1_     3     1.02952    79.29714    22.42435
    4     1 S   H    _H2_     4     1.02828    28.28192  -168.49958
    5     1 S   CT   _CA1     5     1.50108   127.31785   130.00862
    6     5 S   HC   _HA1     6     1.09572   105.21103    85.64594
    7     5 S   CO3  _C1_     7     1.53797   112.45391   -34.60897
    8     7 S   O2Z  _O11     8     1.26370   115.00764   -42.65867
    9     7 S   O2Z  _O12     9     1.26240   114.95187   136.52101
   10     5 S   CT   _CB1    10     1.53088   107.42773  -156.35726
   11    10 S   HC   HB11    11     1.09830   109.39997   -49.77731
   12    10 S   HC   HB12    12     1.09814   110.43167    66.83599
   13    10 S   CT   _CG1    13     1.52982   112.59435  -170.76754
   14    13 S   HC   HG11    14     1.09588   110.59556   -64.86805
   15    13 S   HC   HG12    15     1.09668   109.82382    54.35594
   16    13 S   C    _CD1    16     1.51797   112.29031   174.81832
   17    16 S   O    _OE1    17     1.22724   123.32083     5.03692
   18    16 S   N    _N2_    18     1.38641   111.61791  -175.11838
   19    18 S   H    _HN2    19     1.01589   118.94180     1.85245
   20    18 S   CT1  _CA2    20     1.46192   123.42281   178.03966
   21    20 S   HC   _HA2    21     1.09737   109.38728     0.28393
   22    20 S   C    _C2_    22     1.53513   108.68297  -115.20576
   23    22 S   O    _O2_    23     1.23052   122.26508  -148.86016
   24    20 S   CT   _CB2    32     1.53355   111.44613   122.30371
   25    24 S   HC   HB21    33     1.09521   109.77664    55.63453
   26    24 S   HC   HB22    34     1.09452   110.01458   174.63900
   27    22 S   N    _N3_    24     1.38323   113.68506    38.66572
   28    27 S   H    _HN3    25     1.01597   119.57134    -3.48408
   29    24 S   S    _SG2    35     1.83006   111.25265   -65.62833
   30    27 S   CT   _CA3    26     1.45285   123.18542   177.03932
   31    30 S   HC   HA31    27     1.09550   107.52421   -64.18063
   32    30 S   HC   HA32    28     1.09557   107.96539    52.25003
   33    29 S   CT   _C19    36     1.84986   100.44034   171.94180
   34    30 S   CO3  _C3_    29     1.52950   114.09131   174.24183
   35    34 S   O2Z  _O31    30     1.26374   116.06447    -0.47724
   36    34 S   O2Z  _O32    31     1.26429   114.41246   179.57849
   37    33 S   CO4  _C18    37     1.52599   107.60475    63.92925
   38    37 S   O    _O36    38     1.22926   122.69825  -105.12910
   39    33 S   OS   _O38    74     1.43477   112.58941   -51.31262
   40    37 S   CA   _C15    39     1.48888   118.09350    73.63575
   41    39 S   CT   _C22    75     1.42080   116.58871   -73.50176
   42    41 S   HC   _H11    76     1.09372   107.88519   171.58277
   43    41 S   HC   _H12    77     1.09311   111.78559    52.80454
   44    41 S   HC   _H13    78     1.09334   110.76395   -70.72644
   45    40 S   CA   _C14    40     1.40200   120.08077    20.72082
   46    45 S   CA   _C13    41     1.41186   119.44068  -178.29108
   47    45 S   CO4  _C21    69     1.49029   119.57844     2.77100
   48    47 S   O    _O37    70     1.22845   120.69665  -179.83807
   49    46 S   CA   _C12    42     1.40758   120.69751    -0.29007
   50    46 S   OH   _O39    67     1.37116   121.32565   179.89532
   51    50 S   HO   _H14    68     0.97286   110.02205    -0.60101
   52    33 S   CT   _C20    71     1.52500   111.36475  -177.95082
   53    52 S   HC   _H9_    72     1.09805   110.41601   172.44708
   54    52 S   HC   _H10    73     1.09747   110.45513    54.90951
   55    49 S   CA   _C17    43     1.39158   119.47136    -0.16071
   56    49 S   CO4  _C11    56     1.48370   122.75151   179.90721
   57    56 S   O    _O33    57     1.22212   121.04185    -0.40251
   58    40 S   CA   _C16    44     1.40446   120.46844  -158.22127
   59    55 S   OS   _O34    47     1.37157   123.73064  -179.91377
   60    58 S   OH   _O35    45     1.37296   122.55114    -0.75173
   61    60 S   HO   _H8_    46     0.97353   109.46452    -5.19554
   62    59 S   CA   _C9_    48     1.37082   119.21953     0.24309
   63    62 S   CA   _C8_    49     1.40077   114.83897   179.77794
   64    63 S   HA   _H7_    50     1.08627   118.30490    -0.00000
   65    63 S   CA   _C7_    51     1.39148   120.22771   179.97202
   66    65 S   CA   _C6_    52     1.39751   118.97668     0.02798
   67    66 S   HA   _H6_    53     1.08925   118.67616   180.00000
   68    65 S   OS   _O40    62     1.36890   125.99846   180.00000
   69    66 S   CA   _C5_    54     1.40760   121.68135     0.00000
   70    68 S   CT   _C23    63     1.42280   116.83863    -0.00000
   71    70 S   HC   _H15    64     1.09429   107.75545  -180.00000
   72    70 S   HC   _H16    65     1.09501   111.12885    62.24576
   73    70 S   HC   _H17    66     1.09502   111.13017   -62.23086
   74    62 S   CA   _C10    55     1.39599   124.26523    -0.24389
   75    69 S   CT   _C4_    58     1.50399   117.70773   180.00000
   76    75 S   HC   _H3_    59     1.09448   110.48741   118.69675
   77    75 S   HC   _H4_    60     1.09449   110.49147  -119.02633
   78    75 S   HC   _H5_    61     1.09570   111.63878    -0.17359
  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  13   5   9  12   4   2   1   1  13  12   7   3
  11   3   1   2   1   1   9   9   3   4   7   1   1   8   8   4
  10   9   4   5   5   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    52    53    54    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    58    47    48    52    53    54    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    46    55    58    60    47    52    53    54    39    41  
   40    45    58    52    39  
   41    42    43    44    40    47    52    53    54  
   45    46    49    55    58    60    61    59    50    47    48    52  
   42    43    44    52  
   43    44  
   44  
    0  
   46    49    55    58    60    56    50    51    47    48    52    53    54  
   49    55    58    59    74    56    57    50    51    47    48    52  
   48    52    53    54    49    50    58  
   52    53    54  
   55    58    60    59    62    69    74    56    57    50    51  
   51    55    56  
    0  
   53    54  
   54  
    0  
   58    60    61    59    62    63    74    56    57  
   57    75    58    59    62    63    66    69    74  
   62    69    74  
   60    61    59    62  
   62    63    64    65    69    74    60  
   61  
    0  
   63    64    65    66    69    74    75    68  
   64    65    66    67    69    74    68    70  
   65    66    74    68  
   66    67    69    74    75    68    70    71    72    73  
   67    69    74    75    76    77    78    68    70  
   69    74    75    68  
   70    71    72    73    69  
   74    75    76    77    78  
   71    72    73  
   72    73  
   73  
    0  
   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  -0.316400   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   0.396900   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   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.700000   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    52   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    45   469.000  1.400
   40    58   469.000  1.400
   45    46   469.000  1.400
   45    47   310.000  1.470
   46    49   469.000  1.400
   46    50   450.000  1.364
   49    55   469.000  1.400
   49    56   310.000  1.470
   55    58   469.000  1.400
   55    59   450.000  1.364
   58    60   450.000  1.364
   60    61   553.000  0.945
   59    62   450.000  1.364
   62    63   469.000  1.400
   62    74   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   469.000  1.400
   65    68   450.000  1.364
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    74   469.000  1.400
   69    75   317.000  1.510
   74    56   310.000  1.470
   56    57   570.000  1.229
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   68    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   50    51   553.000  0.945
   47    48   570.000  1.229
   47    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
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    52    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    52    47    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    54    37.50000  110.70000
   33    39    41    60.00000  109.50000
   37    40    45    60.00000  119.52600
   37    40    58    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    45    46    63.00000  120.00000
   40    45    47    60.00000  119.52600
   40    58    55    63.00000  120.00000
   40    58    60    70.00000  120.00000
   45    46    49    63.00000  120.00000
   45    46    50    70.00000  120.00000
   45    47    48    75.00000  123.78400
   45    47    52    65.00000  115.47100
   46    49    55    63.00000  120.00000
   46    49    56    60.00000  119.52600
   46    50    51    35.00000  113.00000
   49    55    58    63.00000  120.00000
   49    55    59    70.00000  120.00000
   49    56    74    65.00000  116.00000
   49    56    57    75.00000  123.78400
   55    58    60    70.00000  120.00000
   55    59    62    85.00000  114.70000
   58    40    45    63.00000  120.00000
   58    60    61    35.00000  113.00000
   59    55    58    70.00000  120.00000
   59    62    63    70.00000  120.00000
   59    62    74    70.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    65    63.00000  120.00000
   62    74    69    63.00000  120.00000
   62    74    56    60.00000  119.52600
   63    65    66    63.00000  120.00000
   63    65    68    70.00000  120.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    69    63.00000  120.00000
   65    68    70    75.00000  111.00000
   66    69    74    63.00000  120.00000
   66    69    75    70.00000  120.00000
   69    66    67    35.00000  120.00000
   69    74    56    60.00000  119.52600
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   74    62    63    63.00000  120.00000
   74    56    57    75.00000  123.78400
   56    49    55    60.00000  119.52600
   75    69    74    70.00000  120.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   68    65    66    70.00000  120.00000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    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
   50    46    49    70.00000  120.00000
   47    45    46    60.00000  119.52600
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   52    33    37    63.00000  111.10000
   52    47    48    80.00000  120.40000
   54    52    53    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    52    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    52    47   0.56750  1.0 1.0
   29    33    52    47  -0.07550 -1.0 2.0
   29    33    52    47   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45   2.26350  1.0 1.0
   33    37    40    45   0.76750 -1.0 2.0
   33    37    40    45   0.22500  1.0 3.0
   33    37    40    58   2.26350  1.0 1.0
   33    37    40    58   0.76750 -1.0 2.0
   33    37    40    58   0.22500  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    52    47   0.11950  1.0 1.0
   37    33    52    47   0.20300 -1.0 2.0
   37    33    52    47  -0.70800  1.0 3.0
   37    33    52    53  -0.11250  1.0 3.0
   37    33    52    54  -0.11250  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40    45    46   3.62500 -1.0 2.0
   37    40   -45    47   3.62500 -1.0 2.0
   37    40    58    55   3.62500 -1.0 2.0
   37    40    58    60   3.62500 -1.0 2.0
   38    37    40    45   1.05000 -1.0 2.0
   38    37    40    58   1.05000 -1.0 2.0
   40    45    46    49   3.62500 -1.0 2.0
   40    45    46    50   3.62500 -1.0 2.0
   40    45    47    48   1.05000 -1.0 2.0
   40    45    47    52   2.26350  1.0 1.0
   40    45    47    52   0.76750 -1.0 2.0
   40    45    47    52   0.22500  1.0 3.0
   40    58    60    61   0.84100 -1.0 2.0
   45    40    58    55   3.62500 -1.0 2.0
   45    40    58    60   3.62500 -1.0 2.0
   45    46   -49    55   3.62500 -1.0 2.0
   45    46    49    56   3.62500 -1.0 2.0
   45    46    50    51   0.84100 -1.0 2.0
   45    47   -52    33   0.05850 -1.0 2.0
   45    47   -52    33   0.17250  1.0 3.0
   45    47    52    53   0.00000  1.0 1.0
   45    47    52    54   0.00000  1.0 1.0
   46    45    47    48   1.05000 -1.0 2.0
   46    45    47    52   2.26350  1.0 1.0
   46    45    47    52   0.76750 -1.0 2.0
   46    45    47    52   0.22500  1.0 3.0
   46    49    55    58   3.62500 -1.0 2.0
   46    49    55    59   3.62500 -1.0 2.0
   46    49    56    74   0.56600 -1.0 2.0
   46    49    56    57   1.05000 -1.0 2.0
   49    46    50    51   0.84100 -1.0 2.0
   49    55   -58    40   3.62500 -1.0 2.0
   49    55    58    60   3.62500 -1.0 2.0
   49    55    59    62   0.47150 -1.0 2.0
   55    49    56    74   0.56600 -1.0 2.0
   55    49    56    57   1.05000 -1.0 2.0
   55    58    60    61   0.84100 -1.0 2.0
   55    59    62    63   0.47150 -1.0 2.0
   55    59   -62    74   0.47150 -1.0 2.0
   58    40   -45    46   3.62500 -1.0 2.0
   58    40    45    47   3.62500 -1.0 2.0
   58    55    59    62   0.47150 -1.0 2.0
   59    55    58    40   3.62500 -1.0 2.0
   59    55    58    60   3.62500 -1.0 2.0
   59    62    63    64   3.62500 -1.0 2.0
   59    62    63    65   3.62500 -1.0 2.0
   59    62    74    69   3.62500 -1.0 2.0
   59    62    74    56   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    68   3.62500 -1.0 2.0
   62    74   -56    49   0.56600 -1.0 2.0
   62    74    56    57   1.05000 -1.0 2.0
   63    62    74    69   3.62500 -1.0 2.0
   63    62    74    56   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   63    65   -66    69   3.62500 -1.0 2.0
   63    65    68    70   1.63200 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    68   3.62500 -1.0 2.0
   65    66    69    74   3.62500 -1.0 2.0
   65    66    69    75   3.62500 -1.0 2.0
   65    68    70    71   0.08050  1.0 3.0
   65    68    70    72   0.08050  1.0 3.0
   65    68    70    73   0.08050  1.0 3.0
   66    65    68    70   1.63200 -1.0 2.0
   66    69   -74    62   3.62500 -1.0 2.0
   66    69    74    56   3.62500 -1.0 2.0
   66    69    75    76   0.00000  1.0 1.0
   66    69    75    77   0.00000  1.0 1.0
   66    69    75    78   0.00000  1.0 1.0
   67    66    69    74   3.62500 -1.0 2.0
   67    66    69    75   3.62500 -1.0 2.0
   69    74    56    49   0.56600 -1.0 2.0
   69    74    56    57   1.05000 -1.0 2.0
   74    62    63    64   3.62500 -1.0 2.0
   74    62   -63    65   3.62500 -1.0 2.0
   74    69    75    76   0.00000  1.0 1.0
   74    69    75    77   0.00000  1.0 1.0
   74    69    75    78   0.00000  1.0 1.0
   56    49    55    58   3.62500 -1.0 2.0
   56    49   -55    59   3.62500 -1.0 2.0
   75    69    74    62   3.62500 -1.0 2.0
   75    69    74    56   3.62500 -1.0 2.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    69   3.62500 -1.0 2.0
   50    46    49    55   3.62500 -1.0 2.0
   50    46    49    56   3.62500 -1.0 2.0
   47    45    46    49   3.62500 -1.0 2.0
   47    45    46    50   3.62500 -1.0 2.0
   48    47    52    33   0.30150 -1.0 2.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.00000  1.0 1.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33   -37    40   0.05850 -1.0 2.0
   52    33   -37    40   0.17250  1.0 3.0
   52    33    39    41   0.06250  1.0 1.0
   52    33    39    41  -0.01100 -1.0 2.0
   52    33    39    41   0.28050  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    52    47  -0.09450  1.0 1.0
   39    33    52    47  -1.12950 -1.0 2.0
   39    33    52    47   0.54000  1.0 3.0
   39    33    52    53   0.23400  1.0 3.0
   39    33    52    54   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   45    58    40    37   4.00000 -1.0 2.0
   46    47    45    40   4.00000 -1.0 2.0
   49    50    46    45   4.00000 -1.0 2.0
   55    56    49    46   4.00000 -1.0 2.0
   58    59    55    49   4.00000 -1.0 2.0
   55    60    58    40   4.00000 -1.0 2.0
   63    74    62    59   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   66    68    65    63   4.00000 -1.0 2.0
   69    67    66    65   1.10000 -1.0 2.0
   74    75    69    66   4.00000 -1.0 2.0
   69    56    74    62   4.00000 -1.0 2.0
   49    74    56    57  10.50000 -1.0 2.0
   45    52    47    48  10.50000 -1.0 2.0
END
