* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    158    240     464
    1     0 S   NP   _N1_     1    31.50455    88.27242   -20.66469
    2     1 S   H    _HN1     2     1.02723    32.54208    17.84258
    3     1 S   H    _H1_     3     1.03077   126.56254   -45.54278
    4     1 S   H    _H2_     4     1.03039   117.05161    98.05607
    5     1 S   CT   _CA1     5     1.50188    79.05065  -153.93294
    6     5 S   HC   _HA1     6     1.09558   105.25268    69.52761
    7     5 S   CO3  _C1_     7     1.53662   113.20084   -50.94709
    8     7 S   O2Z  _O11     8     1.26336   115.27796   -37.55333
    9     7 S   O2Z  _O12     9     1.26306   114.87878   141.69897
   10     5 S   CT   _CB1    10     1.52678   106.72554  -172.43120
   11    10 S   HC   HB11    11     1.09873   109.35569   -48.28845
   12    10 S   HC   HB12    12     1.09783   109.80261    67.60027
   13    10 S   CT   _CG1    13     1.53039   113.82082  -169.80051
   14    13 S   HC   HG11    14     1.09516   111.43877   -69.72252
   15    13 S   HC   HG12    15     1.09553   111.03227    50.55586
   16    13 S   C    _CD1    16     1.51283   108.48366   169.54370
   17    16 S   O    _OE1    17     1.22848   121.80769   -99.93916
   18    16 S   N    _N2_    18     1.38419   112.71261    76.29725
   19    18 S   H    _HN2    19     1.01577   119.40970     9.37851
   20    18 S   CT1  _CA2    20     1.45532   122.42725  -165.64139
   21    20 S   HC   _HA2    21     1.09582   108.93519    27.35164
   22    20 S   C    _C2_    22     1.52808   106.49412   -90.22910
   23    22 S   O    _O2_    23     1.22943   122.62551   -83.38566
   24    20 S   CT   _CB2    32     1.53472   111.98358   148.66830
   25    24 S   HC   HB21    33     1.09602   110.38213    70.52071
   26    24 S   HC   HB22    34     1.09586   109.93160  -172.49750
   27    22 S   N    _N3_    24     1.38519   112.68773    92.98998
   28    27 S   H    _HN3    25     1.01529   119.48840     0.17583
   29    24 S   S    _SG2    35     1.83281   115.79511   -49.11805
   30    27 S   CT   _CA3    26     1.45408   123.29178   177.02468
   31    30 S   HC   HA31    27     1.09516   109.20448    26.02657
   32    30 S   HC   HA32    28     1.09483   107.15717   143.21956
   33    29 S   CT   _C24    36     1.83995   100.74274   -52.90958
   34    33 S   HC   _H23    37     1.09569   107.39285    62.23183
   35    33 S   HC   _H24    38     1.09497   105.77904   -52.39746
   36    30 S   CO3  _C3_    29     1.53037   113.24781   -97.17716
   37    36 S   O2Z  _O31    30     1.26404   115.68144   -35.81532
   38    36 S   O2Z  _O32    31     1.26393   114.79523   144.99319
   39    33 S   CT   _C22    39     1.56299   116.25384  -174.17314
   40    39 S   OM   _O37    40     1.32871   109.31938   -64.63622
   41    39 S   CT   _C23    41     1.54577   111.87900    54.22843
   42    41 S   HC   _H20    42     1.09845   111.56527   172.46113
   43    41 S   HC   _H21    43     1.09763   112.98358   -67.52969
   44    41 S   HC   _H22    44     1.09634   111.12303    52.76926
   45    39 S   CT   _C14    45     1.57788   110.88760   177.36939
   46    45 S   HC   _H5_    46     1.10110   109.09686   169.70123
   47    45 S   CM   _C15    47     1.51335   113.64346   -67.65081
   48    47 S   HC   _H14    48     1.08693   116.68620    62.65933
   49    45 S   OS   _O34    62     1.45308   108.88458    50.95630
   50    47 S   CM   _C16    49     1.34223   123.78087  -118.57242
   51    50 S   HC   _H15    50     1.08530   118.89144     0.58013
   52    49 S   CO4  _C13    63     1.36328   118.16306   150.10064
   53    52 S   O    _O33    64     1.22448   126.16093     1.07702
   54    50 S   CM   _C17    51     1.44662   122.65198  -179.20821
   55    54 S   HC   _H16    52     1.08944   115.68423    -0.64346
   56    52 S   CT1  _C12    65     1.52300   109.17068   179.32016
   57    56 S   HC   _H4_    66     1.09696   109.25263    23.77695
   58    54 S   CM   _C18    53     1.34276   127.57063   179.33884
   59    58 S   HC   _H17    54     1.08944   116.75746   180.00000
   60    56 S   CT   _C5_    67     1.54562   111.03276   -99.91832
   61    60 S   HC   _H3_    68     1.09962   107.97780   -60.75486
   62    56 S   N    _N4_    84     1.46196   104.91724   139.28475
   63    62 S   H    _H25    85     1.01586   117.74696    84.36675
   64    58 S   CM   _C19    55     1.44802   127.58425    -0.04423
   65    64 S   HC   _H18    56     1.08521   117.81231    -0.06853
   66    60 S   CA   _C6_    69     1.52234   112.64206    58.37271
   67    60 S   CT   _C4_    80     1.53621   111.44818  -177.34967
   68    67 S   HC   _H6_    81     1.09555   111.80662   -57.61492
   69    67 S   HC   _H7_    82     1.09601   110.95142  -177.93512
   70    67 S   HC   _H8_    83     1.09504   111.08472    62.67406
   71    62 S   C    _C25    86     1.38289   123.02907   -88.48742
   72    71 S   O    _O38    87     1.22778   125.50967    -0.33630
   73    64 S   CM   _C20    57     1.34102   122.52909   179.93744
   74    73 S   HC   _H19    58     1.08928   119.88577    -0.00000
   75    66 S   CA   _C7_    70     1.40334   121.76408    62.90901
   76    75 S   HA   _H9_    71     1.08664   120.54836     0.18452
   77    71 S   CT   _C26    88     1.50454   112.53776   178.21228
   78    77 S   HC   _H26    89     1.09382   110.59383    42.25915
   79    77 S   HC   _H27    90     1.09351   109.57571   161.85961
   80    77 S   HC   _H28    91     1.09329   109.32622   -78.30211
   81    73 S   CO3  _C21    59     1.53486   121.97788  -180.00000
   82    81 S   O2Z  _O36    60     1.26248   116.98587    -0.07402
   83    81 S   O2Z  _O35    61     1.26619   113.87676   179.92338
   84    75 S   CA   _C8_    72     1.39627   120.64232  -179.73756
   85    84 S   HA   _H10    73     1.08604   120.05778  -179.75611
   86    84 S   CA   _C9_    74     1.39268   120.14718     0.10653
   87    86 S   HA   _H11    75     1.08613   119.97556  -180.00000
   88    86 S   CA   _C10    76     1.39258   119.87903    -0.02798
   89    88 S   HA   _H12    77     1.08620   120.00468   179.82983
   90    66 S   CA   _C11    78     1.40384   119.68811  -116.66768
   91    90 S   HA   _H13    79     1.08738   120.48620    -0.00000
  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
  12   5   4   2   1   1  12   8   7   3   2   1  10   5   8   4
   7   6   3  10   4   6   3  15   7   6   3  15   8   9   3   6
   3  13   5   2   1   1   5   4   4   3   8   4   3   2   1   1
   2   1   1   6   3   5   3   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    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45    46    47    49  
   35    39    40    41    45  
   39    40    41    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    50    49    52  
   41    42    43    44    45    46    47    49  
   42    43    44    45    46    47    49  
   43    44    45  
   44    45  
   45  
   46    47    48    50    51    54    49    52    53    56  
   47    48    50    49    52  
   48    50    51    54    55    58    49    52  
   50    51    54    49  
   52    53    56    57    60    62    50  
   51    54    55    58    59    64  
   54    55    58  
   53    56    57    60    61    66    67    62    63    71  
   56    57    60    62  
   55    58    59    64    65    73  
   58    59    64  
   57    60    61    66    75    90    67    68    69    70    62    63    71    72    77  
   60    61    66    67    62    63    71  
   59    64    65    73    74    81  
   64    65    73  
   61    66    75    76    84    88    90    91    67    68    69    70    62    63    71  
   66    75    90    67    68    69    70    62  
   63    71    72    77    78    79    80    66    67  
   71    72    77  
   65    73    74    81    82    83  
   73    74    81  
   75    76    84    85    86    88    89    90    91    67    68    69    70  
   68    69    70    75    90  
   69    70  
   70  
    0  
   72    77    78    79    80  
   77    78    79    80  
   74    81    82    83  
   81    82    83  
   76    84    85    86    87    88    90    91  
   84    85    86    90  
   78    79    80  
   79    80  
   80  
    0  
   82    83  
   83  
    0  
   85    86    87    88    89    90  
   86    87    88  
   87    88    89    90    91  
   88    89    90  
   89    90    91  
   90    91  
   91  
    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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   570.000  1.307
   39    41   268.000  1.529
   39    45   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   317.000  1.510
   45    49   320.000  1.410
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   340.000  1.080
   50    54   380.000  1.444
   54    55   340.000  1.080
   54    58   549.000  1.340
   58    59   340.000  1.080
   58    64   380.000  1.444
   64    65   340.000  1.080
   64    73   549.000  1.340
   73    74   340.000  1.080
   73    81   230.000  1.545
   81    82   656.000  1.250
   81    83   656.000  1.250
   49    52   214.000  1.327
   52    53   570.000  1.229
   52    56   255.000  1.522
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    62   337.000  1.449
   60    61   340.000  1.090
   60    66   317.000  1.510
   60    67   268.000  1.529
   66    75   469.000  1.400
   66    90   469.000  1.400
   75    76   367.000  1.080
   75    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    89   367.000  1.080
   88    90   469.000  1.400
   90    91   367.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   62    63   434.000  1.010
   62    71   490.000  1.335
   71    72   570.000  1.229
   71    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    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    50.00000  109.50000
   33    39    41    58.35000  112.70000
   33    39    45    58.35000  112.70000
   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    43    37.50000  110.70000
   39    41    44    37.50000  110.70000
   39    45    46    37.50000  110.70000
   39    45    47    70.00000  112.02700
   39    45    49    50.00000  109.50000
   41    39    40    50.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    39    40    50.00000  109.50000
   45    39    41    58.35000  112.70000
   45    47    48    35.00000  117.00000
   45    47    50    70.00000  124.00000
   45    49    52    83.00000  116.90000
   47    45    46    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    54    70.00000  123.01800
   50    47    48    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    58    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    64    70.00000  123.01800
   58    54    55    35.00000  120.00000
   58    64    65    35.00000  120.00000
   58    64    73    70.00000  123.01800
   64    58    59    35.00000  120.00000
   64    73    74    35.00000  120.00000
   64    73    81    55.00000  124.75400
   73    64    65    35.00000  120.00000
   73    81    82    85.00000  113.83300
   73    81    83    85.00000  113.83300
   81    73    74    40.00000  118.53000
   83    81    82    80.00000  126.00000
   49    45    46    35.00000  109.50000
   49    45    47    85.00000  110.90400
   49    52    53    83.00000  123.40000
   49    52    56    90.00000  109.72300
   52    56    57    45.00000  110.09800
   52    56    60    70.00000  110.61500
   52    56    62    80.00000  110.29000
   56    52    53    75.00000  123.42600
   56    60    61    37.50000  110.70000
   56    60    66    63.00000  114.00000
   56    60    67    58.35000  112.70000
   56    62    63    38.00000  118.40000
   56    62    71    50.00000  121.90000
   60    56    57    37.50000  110.70000
   60    66    75    70.00000  120.00000
   60    66    90    70.00000  120.00000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    37.50000  110.70000
   66    60    61    35.00000  109.50000
   66    75    76    35.00000  120.00000
   66    75    84    63.00000  120.00000
   66    90    88    63.00000  120.00000
   66    90    91    35.00000  120.00000
   75    84    85    35.00000  120.00000
   75    84    86    63.00000  120.00000
   84    75    76    35.00000  120.00000
   84    86    87    35.00000  120.00000
   84    86    88    63.00000  120.00000
   86    84    85    35.00000  120.00000
   86    88    89    35.00000  120.00000
   86    88    90    63.00000  120.00000
   88    86    87    35.00000  120.00000
   88    90    91    35.00000  120.00000
   90    66    75    63.00000  120.00000
   90    88    89    35.00000  120.00000
   67    60    61    37.50000  110.70000
   67    60    66    70.00000  112.17500
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    60    80.00000  109.70000
   62    71    72    80.00000  122.90000
   62    71    77    70.00000  116.60000
   71    62    63    35.00000  119.80000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   77    71    72    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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    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   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  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    45   0.44750  1.0 1.0
   29    33    39    45  -0.17800 -1.0 2.0
   29    33    39    45   0.20200  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    44   0.15000  1.0 3.0
   33    39    45    46   0.15000  1.0 3.0
   33    39    45    47   0.34400  1.0 1.0
   33    39    45    47   0.09450 -1.0 2.0
   33    39    45    47   0.11100  1.0 3.0
   33    39    45    49   0.62750  1.0 1.0
   33    39    45    49  -0.30950 -1.0 2.0
   33    39    45    49   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    45   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    45   0.15000  1.0 3.0
   39    45    47    48   0.00000  1.0 1.0
   39    45    47    50   0.09850  1.0 1.0
   39    45    47    50   0.15250 -1.0 2.0
   39    45    47    50  -0.50650  1.0 3.0
   39    45    49    52  -0.25900  1.0 1.0
   39    45    49    52  -0.47000 -1.0 2.0
   39    45    49    52   0.11750  1.0 3.0
   40    39    41    42   0.23400  1.0 3.0
   40    39    41    43   0.23400  1.0 3.0
   40    39    41    44   0.23400  1.0 3.0
   40    39    45    46   0.23400  1.0 3.0
   40    39    45    47   0.61850  1.0 1.0
   40    39    45    47  -0.22750 -1.0 2.0
   40    39    45    47   0.15300  1.0 3.0
   40    39    45    49   1.11900  1.0 1.0
   40    39    45    49  -1.16350 -1.0 2.0
   40    39    45    49  -0.34150  1.0 3.0
   41    39    45    46   0.15000  1.0 3.0
   41    39    45    47   0.34400  1.0 1.0
   41    39    45    47   0.09450 -1.0 2.0
   41    39    45    47   0.11100  1.0 3.0
   41    39    45    49   0.62750  1.0 1.0
   41    39    45    49  -0.30950 -1.0 2.0
   41    39    45    49   0.27300  1.0 3.0
   45    39    41    42   0.15000  1.0 3.0
   45    39    41    43   0.15000  1.0 3.0
   45    39    41    44   0.15000  1.0 3.0
   45    47    50    51   7.00000 -1.0 2.0
   45    47    50    54   7.00000 -1.0 2.0
   45    49    52    53   3.00000 -1.0 2.0
   45    49    52    56   1.63150  1.0 1.0
   45    49    52    56   2.92000 -1.0 2.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    50   0.00000  1.0 1.0
   46    45    49    52   0.08050  1.0 3.0
   47    45    49    52  -0.82050  1.0 1.0
   47    45    49    52   0.00600 -1.0 2.0
   47    45    49    52   0.04400  1.0 3.0
   47    50    54    55  -0.18600  1.0 3.0
   47    50    54    58   0.28850  1.0 1.0
   47    50    54    58   2.61350 -1.0 2.0
   47    50    54    58   0.78400  1.0 3.0
   48    47    50    51   7.00000 -1.0 2.0
   48    47    50    54   7.00000 -1.0 2.0
   50    54    58    59   7.00000 -1.0 2.0
   50    54    58    64   7.00000 -1.0 2.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    58  -0.18600  1.0 3.0
   54    58    64    65  -0.18600  1.0 3.0
   54    58    64    73   0.28850  1.0 1.0
   54    58    64    73   2.61350 -1.0 2.0
   54    58    64    73   0.78400  1.0 3.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    64   7.00000 -1.0 2.0
   58    64    73    74   7.00000 -1.0 2.0
   58    64    73    81   7.00000 -1.0 2.0
   59    58    64    65   0.00000  1.0 1.0
   59    58    64    73  -0.18600  1.0 3.0
   64    73    81    82  -0.04000 -1.0 2.0
   64    73    81    82  -0.29050  1.0 3.0
   64    73    81    83  -0.04000 -1.0 2.0
   64    73    81    83  -0.29050  1.0 3.0
   65    64    73    74   7.00000 -1.0 2.0
   65    64    73    81   7.00000 -1.0 2.0
   74    73    81    82   0.00000  1.0 1.0
   74    73    81    83   0.00000  1.0 1.0
   49    45    47    48   0.00000  1.0 1.0
   49    45    47    50   0.39000  1.0 1.0
   49    45    47    50  -0.05800 -1.0 2.0
   49    45    47    50  -0.55150  1.0 3.0
   49    52    56    57   0.00000  1.0 1.0
   49    52    56    60   0.36750  1.0 3.0
   49    52    56    62   0.40000  1.0 3.0
   52    56    60    61  -0.03800  1.0 3.0
   52    56    60    66  -0.84850  1.0 1.0
   52    56    60    66  -0.22800 -1.0 2.0
   52    56    60    66   0.29250  1.0 3.0
   52    56    60    67  -0.84850  1.0 1.0
   52    56    60    67  -0.22800 -1.0 2.0
   52    56    60    67   0.29250  1.0 3.0
   52    56    62    63   0.00000  1.0 1.0
   52    56    62    71  -0.29800  1.0 1.0
   52    56    62    71   0.13950 -1.0 2.0
   52    56    62    71  -2.45650  1.0 3.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    60   0.00000  1.0 1.0
   53    52    56    62   0.00000  1.0 1.0
   56    60    66    75   0.00000  1.0 1.0
   56    60    66    90   0.00000  1.0 1.0
   56    60    67    68   0.15000  1.0 3.0
   56    60    67    69   0.15000  1.0 3.0
   56    60    67    70   0.15000  1.0 3.0
   56    62    71    72   3.04450 -1.0 2.0
   56    62    71    77   1.15000  1.0 1.0
   56    62    71    77   3.04450 -1.0 2.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    66   0.23100  1.0 3.0
   57    56    60    67   0.15000  1.0 3.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    71   0.00000  1.0 1.0
   60    56    62    63   0.00000  1.0 1.0
   60    56    62    71   0.25950  1.0 1.0
   60    56    62    71   0.43850 -1.0 2.0
   60    56    62    71   2.61650  1.0 3.0
   60    66    75    76   3.62500 -1.0 2.0
   60    66    75    84   3.62500 -1.0 2.0
   60    66    90    88   3.62500 -1.0 2.0
   60    66    90    91   3.62500 -1.0 2.0
   61    60    66    75   0.00000  1.0 1.0
   61    60    66    90   0.00000  1.0 1.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   66    60    67    68   0.43200  1.0 3.0
   66    60    67    69   0.43200  1.0 3.0
   66    60    67    70   0.43200  1.0 3.0
   66    75    84    85   3.62500 -1.0 2.0
   66    75    84    86   3.62500 -1.0 2.0
   75    66    90    88   3.62500 -1.0 2.0
   75    66    90    91   3.62500 -1.0 2.0
   75    84    86    87   3.62500 -1.0 2.0
   75    84   -86    88   3.62500 -1.0 2.0
   76    75    84    85   3.62500 -1.0 2.0
   76    75    84    86   3.62500 -1.0 2.0
   84    86    88    89   3.62500 -1.0 2.0
   84    86    88    90   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   85    84    86    88   3.62500 -1.0 2.0
   86    88   -90    66   3.62500 -1.0 2.0
   86    88    90    91   3.62500 -1.0 2.0
   87    86    88    89   3.62500 -1.0 2.0
   87    86    88    90   3.62500 -1.0 2.0
   89    88    90    66   3.62500 -1.0 2.0
   89    88    90    91   3.62500 -1.0 2.0
   90    66    75    76   3.62500 -1.0 2.0
   90    66   -75    84   3.62500 -1.0 2.0
   67    60    66    75   0.04150 -1.0 2.0
   67    60    66    90   0.04150 -1.0 2.0
   62    56    60    61   0.23200  1.0 3.0
   62    56    60    66   0.42250  1.0 1.0
   62    56    60    66  -0.48100 -1.0 2.0
   62    56    60    66   0.35650  1.0 3.0
   62    56    60    67   0.42250  1.0 1.0
   62    56    60    67  -0.48100 -1.0 2.0
   62    56    60    67   0.35650  1.0 3.0
   62    71    77    78   0.00000  1.0 1.0
   62    71    77    79   0.00000  1.0 1.0
   62    71    77    80   0.00000  1.0 1.0
   63    62    71    72   2.45000 -1.0 2.0
   63    62    71    77   2.45000 -1.0 2.0
   72    71    77    78   0.00000  1.0 1.0
   72    71    77    79   0.00000  1.0 1.0
   72    71    77    80   0.00000  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   45    48    47    50  15.00000 -1.0 2.0
   54    51    50    47  15.00000 -1.0 2.0
   50    55    54    58  15.00000 -1.0 2.0
   64    59    58    54  15.00000 -1.0 2.0
   58    65    64    73  15.00000 -1.0 2.0
   81    74    73    64  15.00000 -1.0 2.0
   82    73    81    83  10.50000 -1.0 2.0
   49    56    52    53  10.50000 -1.0 2.0
   75    90    66    60   4.00000 -1.0 2.0
   84    76    75    66   1.10000 -1.0 2.0
   86    85    84    75   1.10000 -1.0 2.0
   88    87    86    84   1.10000 -1.0 2.0
   90    89    88    86   1.10000 -1.0 2.0
   88    91    90    66   1.10000 -1.0 2.0
   63    71    62    56   1.00000 -1.0 2.0
   62    77    71    72  10.50000 -1.0 2.0
END
