* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    151    223     428
    1     0 S   NP   _N1_     1    28.97566    96.73469   -24.60507
    2     1 S   H    _HN1     2     1.02951    69.24893    15.20172
    3     1 S   H    _H1_     3     1.02829    39.31497   178.59737
    4     1 S   H    _H2_     4     1.02784   110.15465   -87.49068
    5     1 S   CT   _CA1     5     1.50102   134.81686   113.78413
    6     5 S   HC   _HA1     6     1.09572   105.21785    97.03593
    7     5 S   CO3  _C1_     7     1.53798   112.45411   -23.24661
    8     7 S   O2Z  _O11     8     1.26372   115.01067   -42.90000
    9     7 S   O2Z  _O12     9     1.26238   114.94917   136.30788
   10     5 S   CT   _CB1    10     1.53088   107.43124  -144.95573
   11    10 S   HC   HB11    11     1.09830   109.41870   -49.70540
   12    10 S   HC   HB12    12     1.09814   110.42613    66.91301
   13    10 S   CT   _CG1    13     1.52984   112.58516  -170.68531
   14    13 S   HC   HG11    14     1.09584   110.60756   -64.62592
   15    13 S   HC   HG12    15     1.09667   109.81618    54.60116
   16    13 S   C    _CD1    16     1.51793   112.27352   175.08582
   17    16 S   O    _OE1    17     1.22725   123.31026     5.35101
   18    16 S   N    _N2_    18     1.38656   111.63798  -174.80680
   19    18 S   H    _HN2    19     1.01588   118.92519     2.06147
   20    18 S   CT1  _CA2    20     1.46193   123.39959   178.04115
   21    20 S   HC   _HA2    21     1.09735   109.36648     1.39156
   22    20 S   C    _C2_    22     1.53523   108.60805  -114.10644
   23    22 S   O    _O2_    23     1.23052   122.27861  -147.96688
   24    20 S   CT   _CB2    32     1.53306   111.53587   123.37154
   25    24 S   HC   HB21    33     1.09586   110.10177    56.30292
   26    24 S   HC   HB22    34     1.09513   110.24302   175.40598
   27    22 S   N    _N3_    24     1.38329   113.67953    39.48420
   28    27 S   H    _HN3    25     1.01592   119.58267    -3.37023
   29    24 S   S    _SG2    35     1.82569   111.62294   -64.66976
   30    27 S   CT   _CA3    26     1.45291   123.20471   177.11066
   31    30 S   HC   HA31    27     1.09549   107.51405   -64.47110
   32    30 S   HC   HA32    28     1.09557   107.98027    51.96590
   33    29 S   CT   _C26    36     1.81835    98.78255   177.89932
   34    33 S   F    F7__    37     1.36260   109.49086   -57.11588
   35    33 S   F    F8__    38     1.36279   109.11341    57.98464
   36    30 S   CO3  _C3_    29     1.52958   114.07973   173.96022
   37    36 S   O2Z  _O31    30     1.26374   116.06115    -0.65372
   38    36 S   O2Z  _O32    31     1.26427   114.41565   179.40587
   39    33 S   CRA  _C25    39     1.49040   110.90361   179.58457
   40    39 S   N5B  _N7_    40     1.31916   124.79842   -92.08886
   41    40 S   N5B  _N6_    41     1.38265   112.27493   179.91607
   42    41 S   CRA  _C24    42     1.31199   111.60153     0.10835
   43    39 S   SA   _S1_    43     1.72380   121.42975    88.07320
   44    42 S   N    _N5_    44     1.37581   130.04267  -179.97202
   45    44 S   H    _H15    45     1.01433   116.07039   180.00000
   46    44 S   C    _C23    46     1.38604   121.23568     0.03956
   47    46 S   O    _O35    47     1.22962   125.14846     0.08393
   48    46 S   CM   _C21    48     1.50963   113.98196  -179.98022
   49    48 S   CZ   _C22    49     1.42659   121.25893     0.84627
   50    49 S   NZ   _N4_    50     1.16037   179.00830    -6.19926
   51    48 S   CM   _C20    51     1.34764   116.84222   179.92087
   52    51 S   HC   _H14    52     1.08834   121.07386    -1.00522
   53    51 S   CA   _C7_    53     1.47146   125.50725  -179.73459
   54    53 S   CA   _C8_    54     1.39964   119.08217   115.84504
   55    54 S   HA   _H7_    55     1.08756   120.73345    -0.49772
   56    54 S   CA   _C9_    56     1.39279   120.11733   179.50981
   57    56 S   HA   _H8_    57     1.08646   119.85444  -179.59749
   58    56 S   CA   _C10    58     1.39595   119.65239     0.35827
   59    58 S   CA   _C5_    59     1.40125   121.21110    -1.80938
   60    58 S   OS   _O34    67     1.37297   118.72846  -178.33458
   61    53 S   CA   _C6_    60     1.40554   121.13116   -65.83211
   62    61 S   HA   _H6_    61     1.08657   118.56647    -0.02798
   63    59 S   OS   _O33    62     1.37031   115.98368  -178.33305
   64    60 S   CT   _C11    68     1.43131   110.21271   -86.74699
   65    64 S   HC   _H9_    69     1.09629   111.03777    62.27750
   66    64 S   HC   _H10    70     1.09871   110.60310   -56.57869
   67    63 S   CT   _C4_    63     1.42220   117.13299  -178.51299
   68    67 S   HC   _H3_    64     1.09428   107.73988   179.07169
   69    67 S   HC   _H4_    65     1.09504   111.16576    61.32644
   70    67 S   HC   _H5_    66     1.09493   111.10786   -63.20922
   71    64 S   CA   _C12    71     1.51005   107.88087  -176.40512
   72    71 S   CA   _C13    72     1.40508   118.20240    91.24708
   73    72 S   HA   _H11    73     1.08821   120.15834     0.71655
   74    72 S   CA   _C14    74     1.39482   121.03850  -179.03734
   75    74 S   HA   _H12    75     1.08737   119.16058   179.85463
   76    74 S   CA   _C15    76     1.39558   120.29589    -0.04423
   77    76 S   CA   _C16    77     1.40123   118.95880     1.17153
   78    77 S   HA   _H13    78     1.08911   118.89749   178.89873
   79    76 S   CT   _C19    84     1.50184   120.61222   179.04264
   80    79 S   F    F4__    85     1.36230   113.34113    27.95783
   81    79 S   F    F5__    86     1.36238   113.12747   148.07986
   82    79 S   F    F6__    87     1.36139   112.29340   -92.05196
   83    71 S   CA   _C17    79     1.40998   122.60101   -86.37486
   84    83 S   CT   _C18    80     1.50780   121.86206    -1.43913
   85    84 S   F    F1__    81     1.36337   113.76070   174.27960
   86    84 S   F    F2__    82     1.36215   112.44893   -65.90213
   87    84 S   F    F3__    83     1.36170   113.01850    54.20908
  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   6   5   4   3
   7   4   3   2   1   1   5   4   5   6   3   6   3   7   3   7
   4   1   8   3   9   8   4   7   3  10   9   8   3   1   4   9
   4   3   3   2   1   1  12   8   4   9   3   8  10   3   4   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    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    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    43  
   39    40    43  
   37    38  
   38  
    0  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    46  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49    51  
   46    47    48  
   47    48    49    50    51    52    53  
   48    49    51  
   49    50    51    52    53    54    61  
   50    51    52    53  
   51  
   52    53    54    55    56    59    61    62  
   53    54    61  
   54    55    56    57    58    59    61    62    63  
   55    56    57    58    59    61    62    60  
   56    57    58    61  
   57    58    59    61    63    60    64  
   58    59    60  
   59    61    62    63    67    60    64    65    66    71  
   61    62    63    67    68    69    70    60    64  
   64    65    66    71    72    83    61    63  
   62    63    67  
   63  
   67    68    69    70  
   65    66    71    72    73    74    77    83    84  
   66    71    72    83  
   71    72    83  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    83    84    85    86    87  
   73    74    75    76    77    83    84    79  
   74    75    76    83  
   75    76    77    78    83    79    80    81    82  
   76    77    79  
   77    78    83    84    79    80    81    82  
   78    83    84    85    86    87    79    80    81    82  
   83    84    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.175000   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   3.2500   0.0620   0.362500   2.4950   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   3.5500   0.0700   0.228700   2.0020   1.7750   0.001000000  -0.843144165
   40   3.2800   0.1700  -0.312600   1.8650   1.6500   0.001000000  -0.511443539
   41   3.2800   0.1700  -0.312600   1.8650   1.6500   0.001000000  -0.511443539
   42   3.5500   0.0700   0.428700   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5600   0.3950  -0.062200   2.0080   1.7800   0.025682759  -1.666211680
   44   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   49   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   50   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.181800   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   81   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   82   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   83   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   84   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   86   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   87   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
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   367.000  1.332
   33    35   367.000  1.332
   33    39   295.000  1.488
   39    40   488.000  1.335
   39    43   250.000  1.765
   40    41   290.000  1.379
   41    42   488.000  1.335
   42    43   250.000  1.765
   42    44   360.000  1.404
   44    45   434.000  1.010
   44    46   490.000  1.335
   46    47   570.000  1.229
   46    48   410.000  1.444
   48    49   400.000  1.423
   48    51   549.000  1.340
   49    50   650.000  1.157
   51    52   340.000  1.080
   51    53   320.000  1.460
   53    54   469.000  1.400
   53    61   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   469.000  1.400
   58    60   450.000  1.364
   59    61   469.000  1.400
   59    63   450.000  1.364
   61    62   367.000  1.080
   63    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   60    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   317.000  1.510
   71    72   469.000  1.400
   71    83   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    79   317.000  1.510
   77    78   367.000  1.080
   77    83   469.000  1.400
   83    84   317.000  1.510
   84    85   367.000  1.332
   84    86   367.000  1.332
   84    87   367.000  1.332
   79    80   367.000  1.332
   79    81   367.000  1.332
   79    82   367.000  1.332
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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    65.00000  125.57700
   33    39    43    65.00000  125.49400
   35    33    34    77.00000  109.10000
   39    33    34    85.00000  110.61800
   39    33    35    85.00000  110.61800
   39    40    41   100.00000  108.10500
   39    43    42   125.00000   85.95600
   40    41    42   100.00000  108.10500
   41    42    43    80.00000  114.57700
   41    42    44    70.00000  120.00000
   42    44    45    45.00000  118.23600
   42    44    46    65.00000  121.96500
   43    39    40    80.00000  114.57700
   44    42    43    70.00000  123.00000
   44    46    47    80.00000  122.90000
   44    46    48    80.00000  111.56200
   46    44    45    35.00000  119.80000
   46    48    49    70.00000  115.44000
   46    48    51    70.00000  118.70000
   48    46    47    80.00000  125.30000
   48    49    50    35.00000  179.19300
   48    51    52    35.00000  120.00000
   48    51    53    60.00000  123.20500
   51    48    49    65.00000  121.28400
   51    53    54    60.00000  120.93500
   51    53    61    60.00000  120.93500
   53    51    52    40.00000  117.26300
   53    54    55    35.00000  120.00000
   53    54    56    63.00000  120.00000
   53    61    59    63.00000  120.00000
   53    61    62    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    63.00000  120.00000
   56    54    55    35.00000  120.00000
   56    58    59    63.00000  120.00000
   56    58    60    70.00000  120.00000
   58    56    57    35.00000  120.00000
   58    59    61    63.00000  120.00000
   58    59    63    70.00000  120.00000
   58    60    64    75.00000  111.00000
   59    61    62    35.00000  120.00000
   59    63    67    75.00000  111.00000
   61    53    54    63.00000  120.00000
   63    59    61    70.00000  120.00000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   60    58    59    70.00000  120.00000
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    71    85.00000  111.85700
   64    71    72    70.00000  120.00000
   64    71    83    70.00000  120.00000
   66    64    65    33.00000  107.80000
   71    64    65    35.00000  109.50000
   71    64    66    35.00000  109.50000
   71    72    73    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    83    77    63.00000  120.00000
   71    83    84    70.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    79    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    83    63.00000  120.00000
   76    79    80    50.00000  109.50000
   76    79    81    50.00000  109.50000
   76    79    82    50.00000  109.50000
   77    83    84    70.00000  120.00000
   83    71    72    63.00000  120.00000
   83    77    78    35.00000  120.00000
   83    84    85    50.00000  109.50000
   83    84    86    50.00000  109.50000
   83    84    87    50.00000  109.50000
   86    84    85    77.00000  109.10000
   87    84    85    77.00000  109.10000
   87    84    86    77.00000  109.10000
   79    76    77    70.00000  120.00000
   81    79    80    77.00000  109.10000
   82    79    80    77.00000  109.10000
   82    79    81    77.00000  109.10000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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   0.04300 -1.0 2.0
   29    33    39    43   0.04300 -1.0 2.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    43    42   3.62500 -1.0 2.0
   34    33    39    40   0.21350  1.0 3.0
   34    33    39    43   0.04300 -1.0 2.0
   35    33    39    40   0.21350  1.0 3.0
   35    33    39    43   0.04300 -1.0 2.0
   39    40   -41    42   3.62500 -1.0 2.0
   40    39   -43    42   3.62500 -1.0 2.0
   40    41   -42    43   3.62500 -1.0 2.0
   40    41    42    44   3.62500 -1.0 2.0
   41    42   -43    39   3.62500 -1.0 2.0
   41    42    44    45   0.96250 -1.0 2.0
   41    42    44    46   0.96250 -1.0 2.0
   42    44    46    47   0.04000 -1.0 2.0
   42    44    46    48   0.76000  1.0 1.0
   42    44    46    48   4.11600 -1.0 2.0
   43    39   -40    41   3.62500 -1.0 2.0
   43    42    44    45   0.96250 -1.0 2.0
   43    42    44    46   0.96250 -1.0 2.0
   44    42    43    39   3.62500 -1.0 2.0
   44    46    48    49   1.50000 -1.0 2.0
   44    46    48    51   0.49500  1.0 1.0
   44    46    48    51   1.31600 -1.0 2.0
   44    46    48    51  -0.02300  1.0 3.0
   45    44    46    47   2.45000 -1.0 2.0
   45    44    46    48   2.56700 -1.0 2.0
   46    48    49    50   0.00000  1.0 1.0
   46    48    51    52   7.00000 -1.0 2.0
   46    48    51    53   7.00000 -1.0 2.0
   47    46    48    49  -0.52200  1.0 1.0
   47    46    48    49   0.82950 -1.0 2.0
   47    46    48    51   1.00000 -1.0 2.0
   48    51    53    54   0.15800  1.0 1.0
   48    51    53    54   1.85350 -1.0 2.0
   48    51    53    54  -0.48700  1.0 3.0
   48    51    53    61   0.15800  1.0 1.0
   48    51    53    61   1.85350 -1.0 2.0
   48    51    53    61  -0.48700  1.0 3.0
   49    48    51    52   7.00000 -1.0 2.0
   49    48    51    53   7.00000 -1.0 2.0
   51    48    49    50   0.00000  1.0 1.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    56   3.62500 -1.0 2.0
   51    53    61    59   3.62500 -1.0 2.0
   51    53    61    62   3.62500 -1.0 2.0
   52    51    53    54   0.56550  1.0 3.0
   52    51    53    61   0.56550  1.0 3.0
   53    54    56    57   3.62500 -1.0 2.0
   53    54    56    58   3.62500 -1.0 2.0
   54    53    61    59   3.62500 -1.0 2.0
   54    53    61    62   3.62500 -1.0 2.0
   54    56   -58    59   3.62500 -1.0 2.0
   54    56    58    60   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   56    58    59    61   3.62500 -1.0 2.0
   56    58    59    63   3.62500 -1.0 2.0
   56    58    60    64   1.63200 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    59   -61    53   3.62500 -1.0 2.0
   58    59    61    62   3.62500 -1.0 2.0
   58    59    63    67   1.63200 -1.0 2.0
   58    60    64    65   0.08050  1.0 3.0
   58    60    64    66   0.08050  1.0 3.0
   58    60    64    71  -0.50150  1.0 1.0
   58    60    64    71  -0.23050 -1.0 2.0
   58    60    64    71   0.70600  1.0 3.0
   59    58    60    64   1.63200 -1.0 2.0
   59    63    67    68   0.08050  1.0 3.0
   59    63    67    69   0.08050  1.0 3.0
   59    63    67    70   0.08050  1.0 3.0
   61    53    54    55   3.62500 -1.0 2.0
   61    53   -54    56   3.62500 -1.0 2.0
   61    59    63    67   1.63200 -1.0 2.0
   63    59    61    53   3.62500 -1.0 2.0
   63    59    61    62   3.62500 -1.0 2.0
   60    58    59    61   3.62500 -1.0 2.0
   60    58    59    63   3.62500 -1.0 2.0
   60    64    71    72   0.64500  1.0 1.0
   60    64    71    72   0.14800 -1.0 2.0
   60    64    71    72   0.20650  1.0 3.0
   60    64    71    83   0.64500  1.0 1.0
   60    64    71    83   0.14800 -1.0 2.0
   60    64    71    83   0.20650  1.0 3.0
   64    71    72    73   3.62500 -1.0 2.0
   64    71    72    74   3.62500 -1.0 2.0
   64    71    83    77   3.62500 -1.0 2.0
   64    71    83    84   3.62500 -1.0 2.0
   65    64    71    72   0.00000  1.0 1.0
   65    64    71    83   0.00000  1.0 1.0
   66    64    71    72   0.00000  1.0 1.0
   66    64    71    83   0.00000  1.0 1.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    76   3.62500 -1.0 2.0
   71    83    84    85   0.00000  1.0 1.0
   71    83    84    86   0.00000  1.0 1.0
   71    83    84    87   0.00000  1.0 1.0
   72    71    83    77   3.62500 -1.0 2.0
   72    71    83    84   3.62500 -1.0 2.0
   72    74   -76    77   3.62500 -1.0 2.0
   72    74    76    79   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    77    83   3.62500 -1.0 2.0
   74    76    79    80   0.00000  1.0 1.0
   74    76    79    81   0.00000  1.0 1.0
   74    76    79    82   0.00000  1.0 1.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    79   3.62500 -1.0 2.0
   76    77   -83    71   3.62500 -1.0 2.0
   76    77    83    84   3.62500 -1.0 2.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    82   0.00000  1.0 1.0
   77    83    84    85   0.00000  1.0 1.0
   77    83    84    86   0.00000  1.0 1.0
   77    83    84    87   0.00000  1.0 1.0
   78    77    83    71   3.62500 -1.0 2.0
   78    77    83    84   3.62500 -1.0 2.0
   83    71    72    73   3.62500 -1.0 2.0
   83    71   -72    74   3.62500 -1.0 2.0
   79    76    77    78   3.62500 -1.0 2.0
   79    76    77    83   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   40    43    39    33   4.00000 -1.0 2.0
   44    43    42    41   4.00000 -1.0 2.0
   45    46    44    42   1.00000 -1.0 2.0
   44    48    46    47  10.50000 -1.0 2.0
   46    49    48    51  15.00000 -1.0 2.0
   53    52    51    48  15.00000 -1.0 2.0
   54    61    53    51   4.00000 -1.0 2.0
   56    55    54    53   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   59    60    58    56   4.00000 -1.0 2.0
   61    63    59    58   4.00000 -1.0 2.0
   59    62    61    53   1.10000 -1.0 2.0
   72    83    71    64   4.00000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    79    76    74   4.00000 -1.0 2.0
   83    78    77    76   1.10000 -1.0 2.0
   77    84    83    71   4.00000 -1.0 2.0
END
