* LIGAND DATABASE FILE (OPLS2005)
*
001      88    92    166    271     491
    1     0 S   NP   _N1_     1    28.58838    95.88846   -23.09049
    2     1 S   H    _HN1     2     1.02786   102.12875   -93.20010
    3     1 S   H    _H1_     3     1.02949    75.98735    12.97251
    4     1 S   H    _H2_     4     1.02828    35.70566   162.94454
    5     1 S   CT   _CA1     5     1.50113   139.86895   118.11966
    6     5 S   HC   _HA1     6     1.09571   105.19883    85.33643
    7     5 S   CO3  _C1_     7     1.53790   112.47573   -34.92230
    8     7 S   O2Z  _O11     8     1.26373   115.00477   -42.20945
    9     7 S   O2Z  _O12     9     1.26239   114.94911   136.93885
   10     5 S   CT   _CB1    10     1.53078   107.42502  -156.65188
   11    10 S   HC   HB11    11     1.09834   109.39458   -49.51343
   12    10 S   HC   HB12    12     1.09813   110.43681    67.10196
   13    10 S   CT   _CG1    13     1.52991   112.60423  -170.48076
   14    13 S   HC   HG11    14     1.09581   110.64681   -65.45004
   15    13 S   HC   HG12    15     1.09668   109.78288    53.79063
   16    13 S   C    _CD1    16     1.51790   112.20553   174.27193
   17    16 S   O    _OE1    17     1.22732   123.28100     7.27715
   18    16 S   N    _N2_    18     1.38652   111.67987  -172.85946
   19    18 S   H    _HN2    19     1.01583   118.94445     1.91223
   20    18 S   CT1  _CA2    20     1.46195   123.37809   177.76629
   21    20 S   HC   _HA2    21     1.09742   109.38082     3.49872
   22    20 S   C    _C2_    22     1.53558   108.65324  -112.02065
   23    22 S   O    _O2_    23     1.23061   122.27147  -147.74714
   24    20 S   CT   _CB2    32     1.53420   111.60813   125.47523
   25    24 S   HC   HB21    33     1.09495   109.64334    56.18907
   26    24 S   HC   HB22    34     1.09356   109.73159   174.92708
   27    22 S   N    _N3_    24     1.38322   113.72765    39.67558
   28    27 S   H    _HN3    25     1.01579   119.60764    -3.24256
   29    24 S   S    _SG2    35     1.83038   111.13419   -64.17445
   30    27 S   CT   _CA3    26     1.45286   123.20621   177.17603
   31    30 S   HC   HA31    27     1.09549   107.50775   -64.68226
   32    30 S   HC   HA32    28     1.09557   107.98738    51.75688
   33    29 S   CT   _C20    36     1.88547   101.65533  -165.34245
   34    30 S   CO3  _C3_    29     1.52962   114.08114   173.75772
   35    34 S   O2Z  _O31    30     1.26376   116.07183    -0.58684
   36    34 S   O2Z  _O32    31     1.26429   114.41159   179.47437
   37    33 S   CA   _C21    37     1.53770   113.21927    60.98509
   38    33 S   CO4  _C19    69     1.54417   105.03314  -179.52071
   39    38 S   O    _O37    70     1.22985   122.91153   -97.64994
   40    37 S   CA   _C22    38     1.40979   118.36120  -143.38883
   41    40 S   CA   _C23    39     1.41138   120.22474   179.51746
   42    41 S   HA   _H19    40     1.08928   119.30218  -178.82497
   43    40 S   CO   _C10    51     1.51177   122.38267    -2.56979
   44    43 S   HC   _H5_    52     1.09951   106.07725  -123.91349
   45    41 S   CA   _C24    41     1.39524   121.55341     2.09443
   46    43 S   NT   _N4_    53     1.46921   117.24991    -4.19713
   47    45 S   CA   _C25    42     1.39221   118.57999    -0.02798
   48    47 S   HA   _H20    43     1.08751   119.51474   179.28728
   49    45 S   CT   _C27    47     1.49831   120.65402  -178.41218
   50    49 S   HC   _H22    48     1.09434   109.98580    88.59123
   51    49 S   HC   _H23    49     1.09512   110.97325  -150.93404
   52    49 S   HC   _H24    50     1.09512   110.93876   -31.89737
   53    33 S   CT1  _C11    54     1.55449   108.31280   -62.28791
   54    53 S   HC   _H6_    55     1.09794   110.18712    57.52573
   55    46 S   CT1  _C8_    71     1.48559   101.70502   155.90793
   56    55 S   HC   _H4_    72     1.09198   111.95386  -142.88429
   57    37 S   CA   _C26    44     1.41175   124.34510    40.42414
   58    53 S   CO4  _C12    56     1.52447   109.87087   -60.90699
   59    58 S   O    _O35    57     1.22853   121.80833   134.02171
   60    55 S   CO4  _C9_    73     1.51793   103.45521   -26.70336
   61    60 S   O    _O33    74     1.22095   126.09048  -164.60858
   62    55 S   CTE  _C6_    76     1.55176   111.23385    93.43508
   63    62 S   HC   _H3_    77     1.09918   108.74123   -61.14866
   64    57 S   OH   _O38    45     1.37054   120.31110     1.78925
   65    64 S   HO   _H21    46     0.97183   109.42978   177.85224
   66    58 S   CA   _C13    58     1.48004   118.03042   -47.15136
   67    43 S   OS   _O34    75     1.42408   109.66608   120.66340
   68    62 S   CT   _C7_    78     1.53615   111.39014    56.41301
   69    68 S   HC   _H12    79     1.09426   111.57012    55.75693
   70    68 S   HC   _H13    80     1.09484   111.22213   -64.81102
   71    68 S   HC   _H14    81     1.09528   110.86694   176.24965
   72    62 S   CT   _C5_    82     1.54703   113.63340  -178.56101
   73    72 S   HC   _H10    83     1.09768   108.70968   179.65622
   74    72 S   HC   _H11    84     1.09585   109.62436    64.82729
   75    66 S   CA   _C14    59     1.39798   119.32326    18.50662
   76    72 S   CT   _C4_    85     1.52268   115.55690   -58.40909
   77    76 S   HC   _H7_    86     1.09346   111.68588    63.93384
   78    76 S   HC   _H8_    87     1.09351   111.71576   -57.93736
   79    76 S   HC   _H9_    88     1.09513   109.74575  -177.15050
   80    75 S   CA   _C15    60     1.40236   119.81532  -178.30557
   81    80 S   HA   _H15    61     1.08738   121.17095  -179.90309
   82    80 S   CA   _C16    62     1.39448   120.31494    -0.38155
   83    82 S   HA   _H16    63     1.08642   119.98278  -179.88131
   84    82 S   CA   _C17    64     1.39178   120.00884    -0.16551
   85    84 S   HA   _H17    65     1.08678   119.70861  -179.84423
   86    66 S   CA   _C18    66     1.40284   121.26073  -160.63776
   87    86 S   OH   _O36    67     1.36881   123.38063    -0.76847
   88    87 S   HO   _H18    68     0.97377   108.96109    -5.02094
  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  11   5   4   3
  18   2   1   1  19  13   4  14  13   4  13   5   8  14   8   3
   4   2   1   1  12   4  15   7   2   7   3   6   2  13   8   1
   1   9   1   7   3   2   1   6   5   4   7   3   2   1   1   6
   3   5   3   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    57    46    53    54    58    75    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    57    64    43    46    53    54    58    59    66    75    80    38    39    55  
   35    36  
   36  
    0  
   40    41    42    45    47    48    57    64    65    43    44    46    53    54    58    75    38    39    67  
   39    40    46    53    54    57    58    66    75    80    81    82    86  
   53    66    75    80  
   41    42    45    47    57    64    49    43    44    46    53    55    60    67  
   42    45    47    48    57    49    50    51    52    43    44    46    67  
   45    47    49    43  
   44    46    53    54    58    55    56    60    61    67    62    45    57  
   46    53    55    60    67  
   47    48    57    64    49    50    51    52  
   53    54    58    59    66    55    56    60    61    67    62    63    68    72  
   48    57    64    65    49    50    51    52  
   57    64    49  
   50    51    52    57  
   51    52  
   52  
    0  
   54    58    59    66    75    86    55    56    60    67    62    57  
   58    59    66    55  
   56    60    61    67    62    63    68    69    70    71    72    73    74    76    58  
   60    61    67    62    63    68    72  
   64    65  
   59    66    75    80    84    86    87  
   66    75    86  
   61    67    62    63    68    72  
   67    62  
   63    68    69    70    71    72    73    74    76    77    78    79    67  
   68    69    70    71    72    73    74    76  
   65  
    0  
   75    80    81    82    84    85    86    87    88  
    0  
   69    70    71    72    73    74    76  
   70    71    72  
   71    72  
   72  
   73    74    76    77    78    79  
   74    76    77    78    79  
   76    77    78    79  
   80    81    82    83    84    86    87  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86  
   82    83    84  
   83    84    85    86    87  
   84    85    86  
   85    86    87    88  
   86    87  
   87    88  
   88  
    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   0.282500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.3000   0.1700  -0.367500   1.9050   1.6860   0.051222218  -2.220205820
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   268.000  1.529
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    57   469.000  1.400
   40    41   469.000  1.400
   40    43   270.000  1.504
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    49   317.000  1.510
   47    48   367.000  1.080
   47    57   469.000  1.400
   57    64   450.000  1.364
   64    65   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   43    44   340.000  1.090
   43    46   340.000  1.430
   43    67   320.000  1.380
   46    53   305.000  1.457
   46    55   305.000  1.457
   53    54   340.000  1.090
   53    58   255.000  1.522
   58    59   570.000  1.229
   58    66   310.000  1.470
   66    75   469.000  1.400
   66    86   469.000  1.400
   75    80   469.000  1.400
   75    38   310.000  1.470
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   450.000  1.364
   87    88   553.000  0.945
   38    39   570.000  1.229
   55    56   340.000  1.090
   55    60   255.000  1.522
   55    62   268.000  1.529
   60    61   570.000  1.229
   60    67   214.000  1.327
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    72   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    80.00000  109.48900
   29    33    53    75.00000  108.68000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    57    70.00000  120.00000
   33    53    46    80.00000  111.22000
   33    53    54    37.50000  110.70000
   33    53    58    70.00000  110.61500
   33    38    75    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    60.00000  120.68000
   37    57    47    63.00000  120.00000
   37    57    64    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    45.00000  112.15300
   40    43    46    75.00000  112.33000
   40    43    67    90.00000  107.97000
   41    45    47    63.00000  120.00000
   41    45    49    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    57    63.00000  120.00000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    52    35.00000  109.50000
   47    57    64    70.00000  120.00000
   57    37    40    63.00000  120.00000
   57    47    48    35.00000  120.00000
   57    64    65    35.00000  113.00000
   49    45    47    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   43    40    41    60.00000  120.68000
   43    46    53    80.00000  111.82000
   43    46    55    80.00000  111.82000
   43    67    60    95.00000  111.08000
   46    43    44    50.00000  110.45300
   46    53    54    50.00000  109.55000
   46    53    58    75.00000  112.91400
   46    55    56    50.00000  109.55000
   46    55    60    75.00000  112.91400
   46    55    62    75.00000  111.58000
   53    33    37    63.00000  114.00000
   53    58    59    75.00000  123.42600
   53    58    66    60.00000  117.08000
   58    53    54    45.00000  110.09800
   58    66    75    60.00000  119.52600
   58    66    86    60.00000  119.52600
   66    58    59    75.00000  123.78400
   66    75    80    63.00000  120.00000
   66    75    38    60.00000  119.52600
   66    86    84    63.00000  120.00000
   66    86    87    70.00000  120.00000
   75    80    81    35.00000  120.00000
   75    80    82    63.00000  120.00000
   75    38    39    75.00000  123.78400
   80    82    83    35.00000  120.00000
   80    82    84    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    84    85    35.00000  120.00000
   82    84    86    63.00000  120.00000
   84    82    83    35.00000  120.00000
   84    86    87    70.00000  120.00000
   86    66    75    63.00000  120.00000
   86    84    85    35.00000  120.00000
   86    87    88    35.00000  113.00000
   38    33    37    70.00000  110.93000
   38    33    53    63.00000  111.10000
   38    75    80    60.00000  119.52600
   55    46    53    51.80000  107.20000
   55    60    61    75.00000  123.42600
   55    60    67    90.00000  109.72300
   55    62    63    37.50000  110.70000
   55    62    68    58.35000  112.70000
   55    62    72    58.35000  112.70000
   60    55    56    45.00000  110.09800
   67    43    44    35.00000  109.50000
   67    43    46   100.00000  112.06800
   67    60    61    83.00000  123.40000
   62    55    56    37.50000  110.70000
   62    55    60    63.00000  111.10000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    71    37.50000  110.70000
   62    72    73    37.50000  110.70000
   62    72    74    37.50000  110.70000
   62    72    76    58.35000  112.70000
   68    62    63    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    62    63    37.50000  110.70000
   72    62    68    58.35000  112.70000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   74    72    73    33.00000  107.80000
   76    72    73    37.50000  110.70000
   76    72    74    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    57  -0.16000  1.0 1.0
   29    33    37    57  -0.03200 -1.0 2.0
   29    33    37    57   0.04500  1.0 3.0
   29    33    53    46   0.56750  1.0 1.0
   29    33    53    46  -0.07550 -1.0 2.0
   29    33    53    46   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    58  -2.17200  1.0 1.0
   29    33    53    58  -0.85700 -1.0 2.0
   29    33    38    75   0.65300  1.0 1.0
   29    33    38    75  -0.03850 -1.0 2.0
   29    33    38    75   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    57    47   3.62500 -1.0 2.0
   33    37    57    64   3.62500 -1.0 2.0
   33    53    58    59   0.00000  1.0 1.0
   33    53    58    66   0.05850 -1.0 2.0
   33    53    58    66   0.17250  1.0 3.0
   37    33    53    46   0.83750  1.0 1.0
   37    33    53    46   0.32200 -1.0 2.0
   37    33    53    46   0.70600  1.0 3.0
   37    33    53    54   0.23100  1.0 3.0
   37    33    53    58  -0.84850  1.0 1.0
   37    33    53    58  -0.22800 -1.0 2.0
   37    33    53    58   0.29250  1.0 3.0
   37    33    38    75   0.65300  1.0 1.0
   37    33    38    75  -0.03850 -1.0 2.0
   37    33    38    75   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46   0.18550 -1.0 2.0
   37    40   -43    46   0.14000  1.0 3.0
   37    40    43    67   0.64500  1.0 1.0
   37    40    43    67   0.14800 -1.0 2.0
   37    40    43    67   0.20650  1.0 3.0
   37    57    64    65   0.84100 -1.0 2.0
   40    37    57    47   3.62500 -1.0 2.0
   40    37    57    64   3.62500 -1.0 2.0
   40    41   -45    47   3.62500 -1.0 2.0
   40    41    45    49   3.62500 -1.0 2.0
   40    43    46    53   0.82600  1.0 1.0
   40    43    46    53  -0.32100 -1.0 2.0
   40    43    46    53   1.02000  1.0 3.0
   40    43    46    55   0.82600  1.0 1.0
   40    43    46    55  -0.32100 -1.0 2.0
   40    43    46    55   1.02000  1.0 3.0
   40    43    67    60  -0.43900 -1.0 2.0
   40    43    67    60   0.14100  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.18550 -1.0 2.0
   41    40    43    46   0.14000  1.0 3.0
   41    40    43    67   0.64500  1.0 1.0
   41    40    43    67   0.14800 -1.0 2.0
   41    40    43    67   0.20650  1.0 3.0
   41    45    47    48   3.62500 -1.0 2.0
   41    45    47    57   3.62500 -1.0 2.0
   41    45    49    50   0.00000  1.0 1.0
   41    45    49    51   0.00000  1.0 1.0
   41    45    49    52   0.00000  1.0 1.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    47   -57    37   3.62500 -1.0 2.0
   45    47    57    64   3.62500 -1.0 2.0
   47    45    49    50   0.00000  1.0 1.0
   47    45    49    51   0.00000  1.0 1.0
   47    45    49    52   0.00000  1.0 1.0
   47    57    64    65   0.84100 -1.0 2.0
   48    47    57    37   3.62500 -1.0 2.0
   48    47    57    64   3.62500 -1.0 2.0
   57    37   -40    41   3.62500 -1.0 2.0
   57    37    40    43   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    45    47    57   3.62500 -1.0 2.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46   -53    33   0.23450  1.0 1.0
   43    46   -53    33   0.02050 -1.0 2.0
   43    46   -53    33   0.25250  1.0 3.0
   43    46    53    54   0.10550  1.0 3.0
   43    46    53    58  -1.76800  1.0 1.0
   43    46    53    58   1.02600 -1.0 2.0
   43    46    53    58   0.19700  1.0 3.0
   43    46    55    56   0.10550  1.0 3.0
   43    46   -55    60  -1.76800  1.0 1.0
   43    46   -55    60   1.02600 -1.0 2.0
   43    46   -55    60   0.19700  1.0 3.0
   43    46    55    62   0.23450  1.0 1.0
   43    46    55    62   0.02050 -1.0 2.0
   43    46    55    62   0.25250  1.0 3.0
   44    43    46    53   0.28000  1.0 3.0
   44    43    46    55   0.28000  1.0 3.0
   44    43    67    60   0.08050  1.0 3.0
   46    43   -67    60  -0.24150  1.0 1.0
   46    43   -67    60  -0.46200 -1.0 2.0
   46    43   -67    60   0.11700  1.0 3.0
   46    53    58    59   0.30150 -1.0 2.0
   46    53    58    66   0.65300  1.0 1.0
   46    53    58    66  -0.03850 -1.0 2.0
   46    53    58    66   0.33900  1.0 3.0
   46    55    60    61   0.30150 -1.0 2.0
   46    55   -60    67   0.40000  1.0 3.0
   46    55    62    63   0.15000  1.0 3.0
   46    55    62    68   1.53400  1.0 1.0
   46    55    62    68  -0.09950 -1.0 2.0
   46    55    62    68   0.05700  1.0 3.0
   46    55    62    72   1.53400  1.0 1.0
   46    55    62    72  -0.09950 -1.0 2.0
   46    55    62    72   0.05700  1.0 3.0
   53    33   -37    40   0.00000  1.0 1.0
   53    33    37    57   0.00000  1.0 1.0
   53    33    38    75   0.05850 -1.0 2.0
   53    33    38    75   0.17250  1.0 3.0
   53    33    38    39   0.30150 -1.0 2.0
   53    46    55    56   0.28000  1.0 3.0
   53    46    55    60  -1.76800  1.0 1.0
   53    46    55    60   1.02600 -1.0 2.0
   53    46    55    60   0.19700  1.0 3.0
   53    46    55    62   0.23450  1.0 1.0
   53    46    55    62   0.02050 -1.0 2.0
   53    46    55    62   0.25250  1.0 3.0
   53    58   -66    75   2.26350  1.0 1.0
   53    58   -66    75   0.76750 -1.0 2.0
   53    58   -66    75   0.22500  1.0 3.0
   53    58    66    86   2.26350  1.0 1.0
   53    58    66    86   0.76750 -1.0 2.0
   53    58    66    86   0.22500  1.0 3.0
   54    53    58    59   0.00000  1.0 1.0
   54    53    58    66   0.00000  1.0 1.0
   58    66    75    80   3.62500 -1.0 2.0
   58    66    75    38   3.62500 -1.0 2.0
   58    66    86    84   3.62500 -1.0 2.0
   58    66    86    87   3.62500 -1.0 2.0
   59    58    66    75   1.05000 -1.0 2.0
   59    58    66    86   1.05000 -1.0 2.0
   66    75    80    81   3.62500 -1.0 2.0
   66    75    80    82   3.62500 -1.0 2.0
   66    75   -38    33   2.26350  1.0 1.0
   66    75   -38    33   0.76750 -1.0 2.0
   66    75   -38    33   0.22500  1.0 3.0
   66    75    38    39   1.05000 -1.0 2.0
   66    86    87    88   0.84100 -1.0 2.0
   75    66    86    84   3.62500 -1.0 2.0
   75    66    86    87   3.62500 -1.0 2.0
   75    80    82    83   3.62500 -1.0 2.0
   75    80   -82    84   3.62500 -1.0 2.0
   80    75    38    33   2.26350  1.0 1.0
   80    75    38    33   0.76750 -1.0 2.0
   80    75    38    33   0.22500  1.0 3.0
   80    75    38    39   1.05000 -1.0 2.0
   80    82    84    85   3.62500 -1.0 2.0
   80    82    84    86   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   82    84   -86    66   3.62500 -1.0 2.0
   82    84    86    87   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    86   3.62500 -1.0 2.0
   84    86    87    88   0.84100 -1.0 2.0
   85    84    86    66   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   86    66   -75    80   3.62500 -1.0 2.0
   86    66    75    38   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    57   0.04300 -1.0 2.0
   38    33    53    46  -3.56550  1.0 1.0
   38    33    53    46  -0.67500 -1.0 2.0
   38    33    53    46   1.11300  1.0 3.0
   38    33    53    54  -0.03800  1.0 3.0
   38    33   -53    58  -0.84850  1.0 1.0
   38    33   -53    58  -0.22800 -1.0 2.0
   38    33   -53    58   0.29250  1.0 3.0
   38    75    80    81   3.62500 -1.0 2.0
   38    75    80    82   3.62500 -1.0 2.0
   55    46    53    33   0.23450  1.0 1.0
   55    46    53    33   0.02050 -1.0 2.0
   55    46    53    33   0.25250  1.0 3.0
   55    46    53    54   0.28000  1.0 3.0
   55    46    53    58  -1.76800  1.0 1.0
   55    46    53    58   1.02600 -1.0 2.0
   55    46    53    58   0.19700  1.0 3.0
   55    60   -67    43   1.63150  1.0 1.0
   55    60   -67    43   2.92000 -1.0 2.0
   55    62    68    69   0.15000  1.0 3.0
   55    62    68    70   0.15000  1.0 3.0
   55    62    68    71   0.15000  1.0 3.0
   55    62    72    73   0.15000  1.0 3.0
   55    62    72    74   0.15000  1.0 3.0
   55    62    72    76   0.65000  1.0 1.0
   55    62    72    76  -0.02500 -1.0 2.0
   55    62    72    76   0.10000  1.0 3.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    67   0.00000  1.0 1.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    68   0.15000  1.0 3.0
   56    55    62    72   0.15000  1.0 3.0
   60    55    62    63  -0.03800  1.0 3.0
   60    55    62    68   0.33900  1.0 1.0
   60    55    62    68   0.63800 -1.0 2.0
   60    55    62    72   0.33900  1.0 1.0
   60    55    62    72   0.63800 -1.0 2.0
   61    60    67    43   3.00000 -1.0 2.0
   67    43    46    53   1.00600  1.0 1.0
   67    43    46    53  -1.41450 -1.0 2.0
   67    43    46    53   0.25150  1.0 3.0
   67    43   -46    55   1.00600  1.0 1.0
   67    43   -46    55  -1.41450 -1.0 2.0
   67    43   -46    55   0.25150  1.0 3.0
   62    55    60    61   0.00000  1.0 1.0
   62    55    60    67   0.36750  1.0 3.0
   62    72    76    77   0.15000  1.0 3.0
   62    72    76    78   0.15000  1.0 3.0
   62    72    76    79   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    71   0.15000  1.0 3.0
   63    62    72    73   0.15000  1.0 3.0
   63    62    72    74   0.15000  1.0 3.0
   63    62    72    76   0.15000  1.0 3.0
   68    62    72    73   0.15000  1.0 3.0
   68    62    72    74   0.15000  1.0 3.0
   68    62    72    76   0.65000  1.0 1.0
   68    62    72    76  -0.02500 -1.0 2.0
   68    62    72    76   0.10000  1.0 3.0
   72    62    68    69   0.15000  1.0 3.0
   72    62    68    70   0.15000  1.0 3.0
   72    62    68    71   0.15000  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   74    72    76    77   0.15000  1.0 3.0
   74    72    76    78   0.15000  1.0 3.0
   74    72    76    79   0.15000  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
   40    57    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   47    49    45    41   4.00000 -1.0 2.0
   57    48    47    45   1.10000 -1.0 2.0
   47    64    57    37   4.00000 -1.0 2.0
   53    66    58    59  10.50000 -1.0 2.0
   75    86    66    58   4.00000 -1.0 2.0
   80    38    75    66   4.00000 -1.0 2.0
   82    81    80    75   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   86    85    84    82   1.10000 -1.0 2.0
   84    87    86    66   4.00000 -1.0 2.0
   33    75    38    39  10.50000 -1.0 2.0
   55    67    60    61  10.50000 -1.0 2.0
END
