* LIGAND DATABASE FILE (OPLS2005)
*
001      92    96    172    285     505
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02067   100.41532    19.36189
    3     1 S   H    _H1_     3     1.02126    37.85314   126.47990
    4     1 S   H    _H2_     4     1.02106    77.17221   -87.57892
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.83750    98.13731  -178.23641
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   C5B  _C21    37     1.49533   108.63165   179.97202
   38    33 S   C    _C19    52     1.52069   106.08637   -61.36523
   39    38 S   O    _O34    53     1.22330   126.18888   -71.65141
   40    37 S   C5A  _C22    38     1.34811   129.34534   115.95736
   41    40 S   HA   _H23    39     1.07995   126.55561    -0.01978
   42    38 S   N    _N6_    54     1.37539   107.63341   106.57215
   43    42 S   H    _H22    55     1.01425   122.69906  -175.87569
   44    40 S   NA   _N7_    40     1.41146   112.55866   179.96044
   45    44 S   H    _H24    41     1.01733   123.90347  -180.00000
   46    42 S   C    _C18    56     1.37283   114.54293     4.13995
   47    46 S   O    _O33    57     1.22274   126.63792  -177.93408
   48    44 S   C56A _C23    42     1.28669   107.80156     0.04846
   49    33 S   CT   _C17    58     1.54854   110.75663    51.04400
   50    49 S   HC   _H3_    59     1.09560   112.68735    15.78621
   51    48 S   CA   _C24    43     1.46843   129.11952   180.00000
   52    51 S   HA   _H25    44     1.08297   120.39601    -0.04846
   53    49 S   C5B  _C10    60     1.49717   116.04361   141.95619
   54    51 S   CA   _C25    45     1.34323   116.93557  -180.00000
   55    54 S   HA   _H26    46     1.08440   120.88536  -180.00000
   56    53 S   C5A  _C9_    61     1.47660   123.66097    51.87793
   57    56 S   HA   _H17    62     1.09502   123.09691    -0.00000
   58    54 S   CA   _C26    47     1.45059   121.14434    -0.05935
   59    58 S   HA   _H27    48     1.08358   118.68402   179.87967
   60    56 S   NA   _N5_    63     1.28729   112.43508  -180.00000
   61    58 S   CA   _C27    49     1.44744   122.59647     0.05595
   62    61 S   HA   _H28    50     1.08286   119.30676   179.96574
   63    60 S   C56A _C12    64     1.39940   103.89815    -0.01978
   64    60 S   CT   _C8_    74     1.45490   131.69622   179.97202
   65    64 S   HC   _H15    75     1.09472   107.90635   150.00614
   66    64 S   HC   _H16    76     1.09365   108.65119    32.56084
   67    37 S   C56B _C28    51     1.44052   125.34927   -64.05442
   68    63 S   CA   _C13    65     1.44596   126.69794  -180.00000
   69    68 S   HA   _H18    66     1.08361   120.72998     0.02798
   70    64 S   CT   _C7_    77     1.52175   109.47389   -89.68990
   71    70 S   HC   _H13    78     1.09693   109.59300    59.16998
   72    70 S   HC   _H14    79     1.09638   108.70492   -57.60177
   73    68 S   CA   _C14    67     1.34682   118.32646   180.00000
   74    73 S   HA   _H19    68     1.08400   121.28531  -179.96044
   75    70 S   CT   _C6_    80     1.52281   112.01871  -178.72497
   76    75 S   HC   _H11    81     1.09396   112.35839   -60.01004
   77    75 S   HC   _H12    82     1.09393   111.98849    63.94480
   78    73 S   CA   _C15    69     1.46077   120.60977     0.00000
   79    78 S   HA   _H20    70     1.08478   118.09792   179.98022
   80    75 S   NP   _N4_    83     1.48422   109.05665  -178.04595
   81    80 S   H    _H7_    84     1.03452   107.78581    61.52195
   82    78 S   CA   _C16    71     1.34778   120.63227     0.02798
   83    82 S   HA   _H21    72     1.08314   121.15109  -179.97202
   84    80 S   CT   _C4_    85     1.50828   112.64973   178.16474
   85    84 S   HC   _H4_    86     1.09144   107.84237    62.28183
   86    84 S   HC   _H5_    87     1.09227   107.86236  -177.65632
   87    84 S   HC   _H6_    88     1.09206   107.85759   -57.67843
   88    80 S   CT   _C5_    89     1.50841   112.59639   -55.08315
   89    88 S   HC   _H8_    90     1.09164   107.81554   -62.37183
   90    88 S   HC   _H9_    91     1.09206   107.87969    57.70543
   91    88 S   HC   _H10    92     1.09209   107.83831   177.66644
   92    53 S   C56B _C11    73     1.34508   133.07561  -128.14002
  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  17  10   4   8   4   6   3   7   3   6   3   8
   9   3   7   4  10   6   3  10   4   4   3  13   2   1  12  11
   5   4   1   7   4   9   5   4   6   3  12   5   4   4   3   9
   8   2   1   7   3   2   1   3   2   1   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    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    67    38    39    42    46    49    50    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    48    61    67    38    39    42    43    46    47    49    50    53    56    92  
   35    36  
   36  
    0  
   40    41    44    45    48    51    58    61    62    67    38    39    42    46    49    50    53  
   39    42    43    46    47    49    50    53    40    67  
   42    43    46    49  
   41    44    45    48    51    61    67    49  
   44    45    48    67  
   43    46    47    49    50    53  
   46    47    49  
   45    48    51    52    54    61    67  
   48    51    67  
   47    49    50    53    56    92  
   49    50    53  
   51    52    54    55    58    61    62    67  
   50    53    56    57    60    63    82    92    67  
   53    56    92  
   52    54    55    58    59    61    67  
   54    55    58    67  
   56    57    60    63    68    78    82    83    92    64  
   55    58    59    61    62    67  
   58    59    61  
   57    60    63    68    82    92    64    65    66    70  
   60    63    92    64  
   59    61    62    67  
   61    62    67  
   63    68    69    73    82    92    64    65    66    70    71    72    75  
   62    67  
   67  
   68    69    73    74    78    82    83    92    64    65    66    70  
   65    66    70    71    72    75    76    77    80    68    92  
   66    70    71    72    75  
   70    71    72    75  
    0  
   69    73    74    78    79    82    92  
   73    74    78    92  
   71    72    75    76    77    80    81    84    88  
   72    75    76    77    80  
   75    76    77    80  
   74    78    79    82    83    92  
   78    79    82  
   76    77    80    81    84    85    86    87    88    89    90    91  
   77    80    81    84    88  
   80    81    84    88  
   79    82    83    92  
   82    83    92  
   81    84    85    86    87    88    89    90    91  
   84    85    86    87    88    89    90    91  
   83    92  
   92  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    0  
    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   3.5000   0.0660   0.122500   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  -0.234000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   42   3.2500   0.1700  -0.481700   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.356700   1.5900   1.4000   0.030040813  -0.651083722
   44   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   45   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.234000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   61   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   80   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   81   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   84   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   88   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
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   295.000  1.494
   33    38   317.000  1.522
   33    49   268.000  1.529
   37    40   520.000  1.370
   37    67   380.000  1.440
   40    41   367.000  1.080
   40    44   427.000  1.381
   44    45   434.000  1.010
   44    48   428.000  1.380
   48    51   469.000  1.400
   48    67   447.000  1.419
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    62   367.000  1.080
   61    67   469.000  1.404
   38    39   570.000  1.229
   38    42   490.000  1.335
   42    43   434.000  1.010
   42    46   490.000  1.335
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    53   295.000  1.494
   53    56   520.000  1.370
   53    92   380.000  1.440
   56    57   367.000  1.080
   56    60   427.000  1.381
   60    63   428.000  1.380
   60    64   320.000  1.443
   63    68   469.000  1.400
   63    92   447.000  1.419
   68    69   367.000  1.080
   68    73   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    82   469.000  1.400
   82    83   367.000  1.080
   82    92   469.000  1.404
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   367.000  1.471
   80    81   434.000  1.010
   80    84   367.000  1.471
   80    88   367.000  1.471
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   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    38    70.00000  112.33000
   29    33    49    75.00000  111.63000
   33    37    40    55.00000  127.77900
   33    37    67    55.00000  128.73000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.60000
   33    49    46    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    53    70.00000  112.62400
   37    40    41    35.00000  130.70000
   37    40    44    70.00000  106.30000
   37    67    48    80.00000  107.43600
   37    67    61    50.00000  134.85500
   40    44    45    35.00000  120.00000
   40    44    48    90.00000  107.14200
   44    40    41    35.00000  121.60000
   44    48    51    70.00000  132.80000
   44    48    67    70.00000  104.40000
   48    44    45    35.00000  123.10000
   48    51    52    35.00000  120.00000
   48    51    54    85.00000  120.00000
   48    67    61    85.00000  116.20000
   51    54    55    35.00000  120.00000
   51    54    58    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    61    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    61    62    35.00000  120.00000
   58    61    67    63.00000  120.00000
   61    58    59    35.00000  120.00000
   67    37    40    80.00000  105.82900
   67    48    51    85.00000  122.70000
   67    61    62    35.00000  120.00000
   38    33    37    70.00000  109.44300
   38    42    43    35.00000  119.80000
   38    42    46    70.00000  121.37400
   42    38    39    80.00000  122.90000
   42    46    47    80.00000  122.90000
   42    46    49    70.00000  116.60000
   46    42    43    35.00000  119.80000
   46    49    50    35.00000  109.50000
   46    49    53    70.00000  109.44300
   49    33    37    70.00000  112.62400
   49    33    38    63.00000  111.10000
   49    46    47    80.00000  120.40000
   49    53    56    55.00000  127.77900
   49    53    92    55.00000  128.73000
   53    49    50    45.00000  111.11700
   53    56    57    35.00000  130.70000
   53    56    60    70.00000  106.30000
   53    92    63    80.00000  107.43600
   53    92    82    50.00000  134.85500
   56    60    63    90.00000  107.14200
   56    60    64    65.00000  127.50000
   60    56    57    35.00000  121.60000
   60    63    68    70.00000  132.80000
   60    63    92    70.00000  104.40000
   60    64    65    50.00000  108.61900
   60    64    66    50.00000  108.61900
   60    64    70    75.00000  111.19500
   63    68    69    35.00000  120.00000
   63    68    73    85.00000  120.00000
   63    92    82    85.00000  116.20000
   68    73    74    35.00000  120.00000
   68    73    78    63.00000  120.00000
   73    68    69    35.00000  120.00000
   73    78    79    35.00000  120.00000
   73    78    82    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    82    83    35.00000  120.00000
   78    82    92    63.00000  120.00000
   82    78    79    35.00000  120.00000
   92    53    56    80.00000  105.82900
   92    63    68    85.00000  122.70000
   92    82    83    35.00000  120.00000
   64    60    63    65.00000  128.16600
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    75    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    80    80.00000  111.20000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    80    81    35.00000  109.50000
   75    80    84    75.00000  113.01200
   75    80    88    75.00000  113.01200
   77    75    76    33.00000  107.80000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    87    35.00000  109.50000
   80    88    89    35.00000  109.50000
   80    88    90    35.00000  109.50000
   80    88    91    35.00000  109.50000
   84    80    81    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    80    81    35.00000  109.50000
   88    80    84    75.00000  113.01200
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    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    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
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    67  -0.16000  1.0 1.0
   29    33    37    67  -0.03200 -1.0 2.0
   29    33    37    67   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.00000  1.0 1.0
   29    33    49    46   0.56750  1.0 1.0
   29    33    49    46  -0.07550 -1.0 2.0
   29    33    49    46   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    53   0.56750  1.0 1.0
   29    33    49    53  -0.07550 -1.0 2.0
   29    33    49    53   0.20000  1.0 3.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    44   3.62500 -1.0 2.0
   33    37    67    48   3.62500 -1.0 2.0
   33    37    67    61   3.62500 -1.0 2.0
   33    38    42    43   2.45000 -1.0 2.0
   33    38   -42    46   2.45000 -1.0 2.0
   33    49    53    56   0.04150 -1.0 2.0
   33    49    53    92   0.04150 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    42   0.00000  1.0 1.0
   37    33    49    46   0.56750  1.0 1.0
   37    33    49    46  -0.07550 -1.0 2.0
   37    33    49    46   0.20000  1.0 3.0
   37    33    49    50   0.43200  1.0 3.0
   37    33    49    53  -0.94300  1.0 1.0
   37    33    49    53   1.32550 -1.0 2.0
   37    33    49    53  -0.07100  1.0 3.0
   37    40    44    45   1.40000 -1.0 2.0
   37    40   -44    48   3.62500 -1.0 2.0
   40    37   -67    48   3.50000 -1.0 2.0
   40    37    67    61   3.62500 -1.0 2.0
   40    44    48    51   3.62500 -1.0 2.0
   40    44   -48    67   3.62500 -1.0 2.0
   41    40    44    45   2.00000 -1.0 2.0
   41    40    44    48   3.62500 -1.0 2.0
   44    48    51    52   3.62500 -1.0 2.0
   44    48    51    54   3.62500 -1.0 2.0
   44    48   -67    37   3.00000 -1.0 2.0
   44    48    67    61   3.00000 -1.0 2.0
   45    44    48    51   1.52500 -1.0 2.0
   45    44    48    67   1.52500 -1.0 2.0
   48    51    54    55   3.62500 -1.0 2.0
   48    51    54    58   3.62500 -1.0 2.0
   51    48    67    37   3.00000 -1.0 2.0
   51    48    67    61   3.00000 -1.0 2.0
   51    54    58    59   3.62500 -1.0 2.0
   51    54   -58    61   3.62500 -1.0 2.0
   52    51    54    55   3.62500 -1.0 2.0
   52    51    54    58   3.62500 -1.0 2.0
   54    58    61    62   3.62500 -1.0 2.0
   54    58    61    67   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    61   3.62500 -1.0 2.0
   58    61    67    37   3.62500 -1.0 2.0
   58    61   -67    48   3.50000 -1.0 2.0
   59    58    61    62   3.62500 -1.0 2.0
   59    58    61    67   3.62500 -1.0 2.0
   62    61    67    37   3.62500 -1.0 2.0
   62    61    67    48   3.50000 -1.0 2.0
   67    37    40    41   3.62500 -1.0 2.0
   67    37   -40    44   3.62500 -1.0 2.0
   67    48    51    52   3.62500 -1.0 2.0
   67    48   -51    54   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    67   0.04300 -1.0 2.0
   38    33   -49    46   0.11950  1.0 1.0
   38    33   -49    46   0.20300 -1.0 2.0
   38    33   -49    46  -0.70800  1.0 3.0
   38    33    49    50  -0.11250  1.0 3.0
   38    33    49    53   0.56750  1.0 1.0
   38    33    49    53  -0.07550 -1.0 2.0
   38    33    49    53   0.20000  1.0 3.0
   38    42    46    47   2.22250 -1.0 2.0
   38    42   -46    49   2.45000 -1.0 2.0
   39    38    42    43   2.45000 -1.0 2.0
   39    38    42    46   2.22250 -1.0 2.0
   42    46   -49    33   1.39750  1.0 1.0
   42    46   -49    33  -0.07950 -1.0 2.0
   42    46   -49    33  -0.18750  1.0 3.0
   42    46    49    50   0.00000  1.0 1.0
   42    46    49    53   0.00000  1.0 1.0
   43    42    46    47   2.45000 -1.0 2.0
   43    42    46    49   2.45000 -1.0 2.0
   46    49    53    56   0.04300 -1.0 2.0
   46    49    53    92   0.04300 -1.0 2.0
   47    46    49    33   0.30150 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    53   0.30150 -1.0 2.0
   49    33    37    40   0.04150 -1.0 2.0
   49    33    37    67   0.04150 -1.0 2.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    42   1.39750  1.0 1.0
   49    33   -38    42  -0.07950 -1.0 2.0
   49    33   -38    42  -0.18750  1.0 3.0
   49    53    56    57   3.62500 -1.0 2.0
   49    53    56    60   3.62500 -1.0 2.0
   49    53    92    63   3.62500 -1.0 2.0
   49    53    92    82   3.62500 -1.0 2.0
   50    49    53    56   0.00000  1.0 1.0
   50    49    53    92   0.00000  1.0 1.0
   53    56   -60    63   3.62500 -1.0 2.0
   53    56    60    64   3.62500 -1.0 2.0
   56    53   -92    63   3.50000 -1.0 2.0
   56    53    92    82   3.62500 -1.0 2.0
   56    60    63    68   3.62500 -1.0 2.0
   56    60   -63    92   3.62500 -1.0 2.0
   56    60    64    65   0.00000  1.0 1.0
   56    60    64    66   0.00000  1.0 1.0
   56    60    64    70   1.10250  1.0 1.0
   56    60    64    70   0.01650 -1.0 2.0
   56    60    64    70   0.39100  1.0 3.0
   57    56    60    63   3.62500 -1.0 2.0
   57    56    60    64   3.62500 -1.0 2.0
   60    63    68    69   3.62500 -1.0 2.0
   60    63    68    73   3.62500 -1.0 2.0
   60    63   -92    53   3.00000 -1.0 2.0
   60    63    92    82   3.00000 -1.0 2.0
   60    64    70    71   0.15000  1.0 3.0
   60    64    70    72   0.15000  1.0 3.0
   60    64    70    75  -0.64600  1.0 1.0
   60    64    70    75   0.58400 -1.0 2.0
   63    60    64    65   0.00000  1.0 1.0
   63    60    64    66   0.00000  1.0 1.0
   63    60    64    70   1.10250  1.0 1.0
   63    60    64    70   0.01650 -1.0 2.0
   63    60    64    70   0.39100  1.0 3.0
   63    68    73    74   3.62500 -1.0 2.0
   63    68    73    78   3.62500 -1.0 2.0
   68    63    92    53   3.00000 -1.0 2.0
   68    63    92    82   3.00000 -1.0 2.0
   68    73    78    79   3.62500 -1.0 2.0
   68    73   -78    82   3.62500 -1.0 2.0
   69    68    73    74   3.62500 -1.0 2.0
   69    68    73    78   3.62500 -1.0 2.0
   73    78    82    83   3.62500 -1.0 2.0
   73    78    82    92   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    82   3.62500 -1.0 2.0
   78    82    92    53   3.62500 -1.0 2.0
   78    82   -92    63   3.50000 -1.0 2.0
   79    78    82    83   3.62500 -1.0 2.0
   79    78    82    92   3.62500 -1.0 2.0
   83    82    92    53   3.62500 -1.0 2.0
   83    82    92    63   3.50000 -1.0 2.0
   92    53    56    57   3.62500 -1.0 2.0
   92    53   -56    60   3.62500 -1.0 2.0
   92    63    68    69   3.62500 -1.0 2.0
   92    63   -68    73   3.62500 -1.0 2.0
   64    60    63    68   3.62500 -1.0 2.0
   64    60    63    92   3.62500 -1.0 2.0
   64    70    75    76   0.15000  1.0 3.0
   64    70    75    77   0.15000  1.0 3.0
   64    70    75    80   1.36600  1.0 1.0
   64    70    75    80  -0.11450 -1.0 2.0
   64    70    75    80   0.24250  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    75   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    75   0.15000  1.0 3.0
   70    75    80    81   0.17350  1.0 3.0
   70    75    80    84   0.47100  1.0 1.0
   70    75    80    88   0.47100  1.0 1.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    80   0.19200  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    80   0.19200  1.0 3.0
   75    80    84    85   0.15000  1.0 3.0
   75    80    84    86   0.15000  1.0 3.0
   75    80    84    87   0.15000  1.0 3.0
   75    80    88    89   0.15000  1.0 3.0
   75    80    88    90   0.15000  1.0 3.0
   75    80    88    91   0.15000  1.0 3.0
   76    75    80    81   0.13050  1.0 3.0
   76    75    80    84   0.15000  1.0 3.0
   76    75    80    88   0.15000  1.0 3.0
   77    75    80    81   0.13050  1.0 3.0
   77    75    80    84   0.15000  1.0 3.0
   77    75    80    88   0.15000  1.0 3.0
   81    80    84    85   0.13050  1.0 3.0
   81    80    84    86   0.13050  1.0 3.0
   81    80    84    87   0.13050  1.0 3.0
   81    80    88    89   0.13050  1.0 3.0
   81    80    88    90   0.13050  1.0 3.0
   81    80    88    91   0.13050  1.0 3.0
   84    80    88    89   0.15000  1.0 3.0
   84    80    88    90   0.15000  1.0 3.0
   84    80    88    91   0.15000  1.0 3.0
   88    80    84    85   0.15000  1.0 3.0
   88    80    84    86   0.15000  1.0 3.0
   88    80    84    87   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    67    37    33   4.00000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   45    40    44    48   1.00000 -1.0 2.0
   51    67    48    44   4.00000 -1.0 2.0
   54    52    51    48   1.10000 -1.0 2.0
   58    55    54    51   1.10000 -1.0 2.0
   61    59    58    54   1.10000 -1.0 2.0
   67    62    61    58   1.10000 -1.0 2.0
   48    61    67    37   4.00000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   43    38    42    46   1.00000 -1.0 2.0
   42    49    46    47  10.50000 -1.0 2.0
   56    92    53    49   4.00000 -1.0 2.0
   60    57    56    53   1.10000 -1.0 2.0
   63    64    60    56   4.00000 -1.0 2.0
   68    92    63    60   4.00000 -1.0 2.0
   73    69    68    63   1.10000 -1.0 2.0
   78    74    73    68   1.10000 -1.0 2.0
   82    79    78    73   1.10000 -1.0 2.0
   92    83    82    78   1.10000 -1.0 2.0
   63    82    92    53   4.00000 -1.0 2.0
END
