* LIGAND DATABASE FILE (OPLS2005)
*
001     112   115    225    368     686
    1     0 S   NP   _N1_     1    28.49630    93.71887   -20.68015
    2     1 S   H    _HN1     2     1.02829    31.24713   148.96949
    3     1 S   H    _H1_     3     1.02784    93.08726   -90.70800
    4     1 S   H    _H2_     4     1.02950    86.63451    17.59204
    5     1 S   CT   _CA1     5     1.50186   141.48085   136.68106
    6     5 S   HC   _HA1     6     1.09563   105.12695    66.02394
    7     5 S   CO3  _C1_     7     1.53782   112.51862   -54.07633
    8     7 S   O2Z  _O11     8     1.26394   114.97441   -36.18428
    9     7 S   O2Z  _O12     9     1.26229   115.02417   142.92334
   10     5 S   CT   _CB1    10     1.53089   107.38357  -175.86322
   11    10 S   HC   HB11    11     1.09835   109.38281   -46.99036
   12    10 S   HC   HB12    12     1.09817   110.36836    69.59381
   13    10 S   CT   _CG1    13     1.53056   112.81259  -167.90662
   14    13 S   HC   HG11    14     1.09546   110.67206   -66.68736
   15    13 S   HC   HG12    15     1.09660   109.79866    52.59088
   16    13 S   C    _CD1    16     1.51871   112.05910   173.00462
   17    16 S   O    _OE1    17     1.22753   123.13300     9.15382
   18    16 S   N    _N2_    18     1.38649   111.84282  -171.22166
   19    18 S   H    _HN2    19     1.01574   119.03910     1.13229
   20    18 S   CT1  _CA2    20     1.46417   123.37613   178.58570
   21    20 S   HC   _HA2    21     1.09743   109.32344    -2.77361
   22    20 S   C    _C2_    22     1.53439   108.48468  -118.19011
   23    22 S   O    _O2_    23     1.23027   122.38319  -148.40367
   24    20 S   CT   _CB2    32     1.53472   111.47763   119.20525
   25    24 S   HC   HB21    33     1.09186   109.37577    59.31204
   26    24 S   HC   HB22    34     1.09526   110.36216   177.32541
   27    22 S   N    _N3_    24     1.38374   113.52530    39.08169
   28    27 S   H    _HN3    25     1.01611   119.47301    -3.52881
   29    24 S   S    _SG2    35     1.82988   110.35967   -63.93717
   30    27 S   CT   _CA3    26     1.45274   123.22945   177.05397
   31    30 S   HC   HA31    27     1.09549   107.52546   -64.15603
   32    30 S   HC   HA32    28     1.09556   107.96636    52.27746
   33    29 S   CT   _C17    36     1.91444   103.16292   149.82077
   34    30 S   CO3  _C3_    29     1.52958   114.07408   174.25997
   35    34 S   O2Z  _O31    30     1.26376   116.06112    -0.72443
   36    34 S   O2Z  _O32    31     1.26425   114.41789   179.33677
   37    33 S   CM   _C22    37     1.51242   104.33129    56.22458
   38    37 S   HC   _H30    38     1.08957   116.74893   -89.51852
   39    33 S   CT   _C16   102     1.55140   107.86147   -64.94006
   40    39 S   HC   _H24   103     1.09763   109.48178   172.76725
   41    39 S   HC   _H25   104     1.09445   112.17094    57.85820
   42    37 S   CMA  _C21    39     1.35116   124.81505    88.67459
   43    42 S   OM   _O33    40     1.26215   129.21829  -178.67087
   44    42 S   CT   _C20    41     1.53243   119.63918     1.97556
   45    44 S   HC   _H28    42     1.10113   108.51670   121.85617
   46    44 S   HC   _H29    43     1.09995   110.02676  -122.63530
   47    44 S   CT   _C19    44     1.54502   117.38072     0.57946
   48    47 S   HC   _H26    45     1.09725   107.84882   150.39918
   49    47 S   HC   _H27    46     1.09630   109.03179   -96.18357
   50    33 S   CT   _C18    47     1.59508   111.41355   174.82964
   51    50 S   CT   _C13    48     1.57178   108.05465    62.03853
   52    51 S   HC   _H6_    49     1.08970   104.87555   -58.08936
   53    50 S   CT   _C23   109     1.56200   112.71158  -176.87338
   54    53 S   HC   _H31   110     1.09134   113.58393   -57.60495
   55    53 S   HC   _H32   111     1.09575   110.64127  -178.32065
   56    53 S   HC   _H33   112     1.09370   112.90340    62.51217
   57    51 S   CT   _C12    50     1.53653   118.31424  -172.94740
   58    57 S   HC   _H20    51     1.09439   111.51507    45.58564
   59    57 S   HC   _H21    52     1.09676   109.95600   -72.54789
   60    57 S   CT   _C11    53     1.55300   111.49099   166.32866
   61    60 S   HC   _H18    54     1.09146   107.20120   158.46548
   62    60 S   HC   _H19    55     1.09798   108.15844   -89.38960
   63    60 S   CT   _C10    56     1.55222   114.23835    32.74742
   64    63 S   CT   _C9_    57     1.53987   110.07576    25.16649
   65    64 S   HC   _H5_    58     1.10007   106.60052    59.11288
   66    63 S   CT   _C24   105     1.56330   108.53241   -98.35534
   67    66 S   HC   _H34   106     1.09401   112.29871  -176.54844
   68    66 S   HC   _H35   107     1.08864   114.23660    62.37396
   69    66 S   HC   _H36   108     1.09704   110.17813   -58.04927
   70    64 S   CT   _C8_    59     1.51961   104.35198   169.75255
   71    70 S   HC   _H16    60     1.09476   112.15941  -160.32008
   72    70 S   HC   _H17    61     1.09448   112.23650    78.42553
   73    51 S   CT   _C14    97     1.55827   111.01020    59.41312
   74    73 S   HC   _H7_    98     1.09752   107.76168    55.58222
   75    70 S   CT   _C7_    62     1.53412   103.18465   -40.39070
   76    75 S   HC   _H14    63     1.09506   110.37365   142.61712
   77    75 S   HC   _H15    64     1.09390   109.34526  -100.50955
   78    73 S   CT   _C15    99     1.52971   111.42097   -58.46254
   79    78 S   HC   _H22   100     1.09472   110.42000   -69.49966
   80    78 S   HC   _H23   101     1.09655   109.96562   173.36700
   81    63 S   CT   _C6_    65     1.57499   118.64676   141.56485
   82    81 S   HC   _H4_    66     1.09545   105.87257    97.33453
   83    81 S   CT   _C5_    67     1.55933   120.14836   -21.25869
   84    83 S   HC   _H3_    68     1.09332   107.61425    55.79643
   85    83 S   CT   _C4_    69     1.54248   113.91556   -60.58668
   86    85 S   HC   _H11    70     1.09404   111.88082   -66.60124
   87    85 S   HC   _H12    71     1.09110   112.48601    55.15261
   88    85 S   HC   _H13    72     1.09497   110.95695   173.35442
   89    83 S   CT   _C25    73     1.56591   113.15631   174.48772
   90    89 S   HC   _H8_    74     1.09807   107.90554    75.37809
   91    89 S   CT   _C26    75     1.55180   118.23500   -46.52490
   92    91 S   HC   _H9_    76     1.09080   110.41522    46.95949
   93    89 S   OH   _O35    95     1.43402   109.40294  -170.14300
   94    93 S   HO   _H48    96     0.97166   107.84029   -77.99259
   95    91 S   CT   _C27    77     1.55830   117.96588   -81.04389
   96    95 S   HC   _H10    78     1.09952   106.94795   -64.96933
   97    91 S   OH   _O34    93     1.44400   106.33545   160.15710
   98    97 S   HO   _H47    94     0.97247   107.45770   -64.60687
   99    95 S   CT   _C28    79     1.53028   113.34991    52.96870
  100    99 S   HC   _H37    80     1.09399   111.75749    50.36170
  101    99 S   HC   _H38    81     1.09327   110.68348   -70.87131
  102    99 S   HC   _H39    82     1.09344   111.97809   171.43640
  103    95 S   CT   _C29    83     1.56717   111.14524  -179.81025
  104   103 S   HC   _H40    84     1.09736   108.26272    46.78606
  105   103 S   CT   _C30    85     1.53230   113.72733   -72.24734
  106   105 S   HC   _H41    86     1.09462   111.79835   -64.19924
  107   105 S   HC   _H42    87     1.09577   110.35074   176.34312
  108   105 S   HC   _H43    88     1.09309   111.67795    57.22967
  109   103 S   CT   _C31    89     1.53443   111.87055   163.08361
  110   109 S   HC   _H44    90     1.09393   112.21374    68.93099
  111   109 S   HC   _H45    91     1.09574   110.33820  -171.40815
  112   109 S   HC   _H46    92     1.09489   110.92293   -52.38881
  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  12   5   4   3
  23   2   1   1  14   5  13   6   5   8   4   8   5   4  11   4
   3  14  20   9   5   2   1   1  12   6   5  15   5   4  21  19
   9   9   3   2   1  11   6   5   6   3   8   4   3   2   1   1
  11   4  13   8   7   3   2   1  11   6  15   7   3   1  17   9
   3   1   7   3   2   1   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    78    39    40    41    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    57    73    78    79    80    39    40    41    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    78    39    40    41    53  
   42    43    44    50    39  
   40    41    53    42    47    50    51    64    73    74    78    79    80  
   41    50    73    78    79    80  
   50    73    78    79    80  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    57    73    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    59    60    64    73    74    78    53    54    55    56  
   52    57    58    59    60    61    62    63    64    65    70    73    74    78    79    80    53    54    55    56  
   57    58    59    60    64    73    74    78    53  
   54    55    56    57    73  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    81    73    74    78    66  
   59    60    61    62    63    73  
   60    61    62    63    73  
   61    62    63    64    65    70    75    81    82    83    73    66    67    68    69  
   62    63    64    81    66  
   63    64    81    66  
   64    65    70    71    72    75    76    77    81    82    83    84    85    89    73    74    78    66    67    68    69  
   65    70    71    72    75    76    77    81    82    83    73    74    78    79    80    66    67    68    69  
   70    71    72    75    81    73    74    78    66  
   67    68    69    70    73    75    81    82    83  
   68    69    81  
   69    81  
   81  
   71    72    75    76    77    81    82    83    73    74    78  
   72    75    76    77    81    73  
   75    76    77    81    73  
   74    78    79    80    75    81  
   78    79    80  
   76    77    81    82    83    84    85    89  
   77    81    82    83  
   81    82    83  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89    90    91    93  
   83    84    85    89  
   84    85    86    87    88    89    90    91    92    95    97    93    94  
   85    86    87    88    89    90    91    93  
   86    87    88    89    90    91    93  
   87    88    89  
   88    89  
   89  
   90    91    92    95    96    99   103    97    98    93    94  
   91    92    95    97    93    94  
   92    95    96    99   100   101   102   103   104   105   109    97    98    93    94  
   95    96    99   103    97    98    93  
   94    95    97  
    0  
   96    99   100   101   102   103   104   105   106   107   108   109   110   111   112    97    98  
   99   100   101   102   103   104   105   109    97  
   98    99   103  
    0  
  100   101   102   103   104   105   109  
  101   102   103  
  102   103  
  103  
  104   105   106   107   108   109   110   111   112  
  105   106   107   108   109   110   111   112  
  106   107   108   109   110   111   112  
  107   108   109  
  108   109  
  109  
  110   111   112  
  111   112  
  112  
    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   0.167500   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    73   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   268.000  1.529
   63    81   268.000  1.529
   63    66   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    73   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    81   268.000  1.529
   81    82   340.000  1.090
   81    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    89   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    90   340.000  1.090
   89    91   268.000  1.529
   89    93   320.000  1.410
   91    92   340.000  1.090
   91    95   268.000  1.529
   91    97   320.000  1.410
   95    96   340.000  1.090
   95    99   268.000  1.529
   95   103   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
  103   104   340.000  1.090
  103   105   268.000  1.529
  103   109   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   97    98   553.000  0.945
   93    94   553.000  0.945
   73    74   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    78    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    73    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   51    73    64    58.35000  112.70000
   51    73    74    37.50000  110.70000
   51    73    78    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    58.35000  112.70000
   60    63    81    58.35000  112.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    70    58.35000  112.70000
   63    64    73    58.35000  112.70000
   63    81    75    58.35000  112.70000
   63    81    82    37.50000  110.70000
   63    81    83    58.35000  112.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    75    58.35000  112.70000
   64    73    74    37.50000  110.70000
   64    73    78    58.35000  112.70000
   70    64    65    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    81    58.35000  112.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    58.35000  112.70000
   77    75    76    33.00000  107.80000
   81    63    64    58.35000  112.70000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    83    84    37.50000  110.70000
   81    83    85    58.35000  112.70000
   81    83    89    58.35000  112.70000
   83    81    82    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    87    37.50000  110.70000
   83    85    88    37.50000  110.70000
   83    89    90    37.50000  110.70000
   83    89    91    58.35000  112.70000
   83    89    93    50.00000  109.50000
   85    83    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    83    84    37.50000  110.70000
   89    83    85    58.35000  112.70000
   89    91    92    37.50000  110.70000
   89    91    95    58.35000  112.70000
   89    91    97    50.00000  109.50000
   89    93    94    55.00000  108.50000
   91    89    90    37.50000  110.70000
   91    95    96    37.50000  110.70000
   91    95    99    58.35000  112.70000
   91    95   103    58.35000  112.70000
   91    97    98    55.00000  108.50000
   95    91    92    37.50000  110.70000
   95    99   100    37.50000  110.70000
   95    99   101    37.50000  110.70000
   95    99   102    37.50000  110.70000
   95   103   104    37.50000  110.70000
   95   103   105    58.35000  112.70000
   95   103   109    58.35000  112.70000
   99    95    96    37.50000  110.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
  103    95    96    37.50000  110.70000
  103    95    99    58.35000  112.70000
  103   105   106    37.50000  110.70000
  103   105   107    37.50000  110.70000
  103   105   108    37.50000  110.70000
  103   109   110    37.50000  110.70000
  103   109   111    37.50000  110.70000
  103   109   112    37.50000  110.70000
  105   103   104    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   103   104    37.50000  110.70000
  109   103   105    58.35000  112.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   97    91    92    35.00000  109.50000
   97    91    95    50.00000  109.50000
   93    89    90    35.00000  109.50000
   93    89    91    50.00000  109.50000
   73    51    52    37.50000  110.70000
   73    51    57    58.35000  112.70000
   73    64    65    37.50000  110.70000
   73    64    70    58.35000  112.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    39    58.35000  112.70000
   78    73    74    37.50000  110.70000
   78    39    40    37.50000  110.70000
   78    39    41    37.50000  110.70000
   80    78    79    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    78    79    37.50000  110.70000
   39    78    80    37.50000  110.70000
   41    39    40    33.00000  107.80000
   66    63    64    58.35000  112.70000
   66    63    81    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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
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   82    81    83    84   0.15000  1.0 3.0
   82    81    83    85   0.15000  1.0 3.0
   82    81    83    89   0.15000  1.0 3.0
   83    89    91    92   0.15000  1.0 3.0
   83    89    91    95   0.56750  1.0 1.0
   83    89    91    95  -0.07550 -1.0 2.0
   83    89    91    95   0.20000  1.0 3.0
   83    89    91    97   0.86500  1.0 1.0
   83    89    91    97  -0.17500 -1.0 2.0
   83    89    91    97   0.20800  1.0 3.0
   83    89    93    94  -0.11600  1.0 1.0
   83    89    93    94  -0.09450 -1.0 2.0
   83    89    93    94   0.21250  1.0 3.0
   84    83    85    86   0.15000  1.0 3.0
   84    83    85    87   0.15000  1.0 3.0
   84    83    85    88   0.15000  1.0 3.0
   84    83    89    90   0.15000  1.0 3.0
   84    83    89    91   0.15000  1.0 3.0
   84    83    89    93   0.23400  1.0 3.0
   85    83    89    90   0.15000  1.0 3.0
   85    83    89    91   0.56750  1.0 1.0
   85    83    89    91  -0.07550 -1.0 2.0
   85    83    89    91   0.20000  1.0 3.0
   85    83    89    93   0.86500  1.0 1.0
   85    83    89    93  -0.17500 -1.0 2.0
   85    83    89    93   0.20800  1.0 3.0
   89    83    85    86   0.15000  1.0 3.0
   89    83    85    87   0.15000  1.0 3.0
   89    83    85    88   0.15000  1.0 3.0
   89    91    95    96   0.15000  1.0 3.0
   89    91    95    99   0.56750  1.0 1.0
   89    91    95    99  -0.07550 -1.0 2.0
   89    91    95    99   0.20000  1.0 3.0
   89    91    95   103   0.56750  1.0 1.0
   89    91    95   103  -0.07550 -1.0 2.0
   89    91    95   103   0.20000  1.0 3.0
   89    91    97    98  -0.11600  1.0 1.0
   89    91    97    98  -0.09450 -1.0 2.0
   89    91    97    98   0.21250  1.0 3.0
   90    89    91    92   0.15000  1.0 3.0
   90    89    91    95   0.15000  1.0 3.0
   90    89    91    97   0.23400  1.0 3.0
   90    89    93    94   0.19450  1.0 3.0
   91    89    93    94  -0.11600  1.0 1.0
   91    89    93    94  -0.09450 -1.0 2.0
   91    89    93    94   0.21250  1.0 3.0
   91    95    99   100   0.15000  1.0 3.0
   91    95    99   101   0.15000  1.0 3.0
   91    95    99   102   0.15000  1.0 3.0
   91    95   103   104   0.15000  1.0 3.0
   91    95   103   105   0.56750  1.0 1.0
   91    95   103   105  -0.07550 -1.0 2.0
   91    95   103   105   0.20000  1.0 3.0
   91    95   103   109   0.56750  1.0 1.0
   91    95   103   109  -0.07550 -1.0 2.0
   91    95   103   109   0.20000  1.0 3.0
   92    91    95    96   0.15000  1.0 3.0
   92    91    95    99   0.15000  1.0 3.0
   92    91    95   103   0.15000  1.0 3.0
   92    91    97    98   0.19450  1.0 3.0
   95    91    97    98  -0.11600  1.0 1.0
   95    91    97    98  -0.09450 -1.0 2.0
   95    91    97    98   0.21250  1.0 3.0
   95   103   105   106   0.15000  1.0 3.0
   95   103   105   107   0.15000  1.0 3.0
   95   103   105   108   0.15000  1.0 3.0
   95   103   109   110   0.15000  1.0 3.0
   95   103   109   111   0.15000  1.0 3.0
   95   103   109   112   0.15000  1.0 3.0
   96    95    99   100   0.15000  1.0 3.0
   96    95    99   101   0.15000  1.0 3.0
   96    95    99   102   0.15000  1.0 3.0
   96    95   103   104   0.15000  1.0 3.0
   96    95   103   105   0.15000  1.0 3.0
   96    95   103   109   0.15000  1.0 3.0
   99    95   103   104   0.15000  1.0 3.0
   99    95   103   105   0.56750  1.0 1.0
   99    95   103   105  -0.07550 -1.0 2.0
   99    95   103   105   0.20000  1.0 3.0
   99    95   103   109   0.56750  1.0 1.0
   99    95   103   109  -0.07550 -1.0 2.0
   99    95   103   109   0.20000  1.0 3.0
  103    95    99   100   0.15000  1.0 3.0
  103    95    99   101   0.15000  1.0 3.0
  103    95    99   102   0.15000  1.0 3.0
  104   103   105   106   0.15000  1.0 3.0
  104   103   105   107   0.15000  1.0 3.0
  104   103   105   108   0.15000  1.0 3.0
  104   103   109   110   0.15000  1.0 3.0
  104   103   109   111   0.15000  1.0 3.0
  104   103   109   112   0.15000  1.0 3.0
  105   103   109   110   0.15000  1.0 3.0
  105   103   109   111   0.15000  1.0 3.0
  105   103   109   112   0.15000  1.0 3.0
  109   103   105   106   0.15000  1.0 3.0
  109   103   105   107   0.15000  1.0 3.0
  109   103   105   108   0.15000  1.0 3.0
   97    91    95    96   0.23400  1.0 3.0
   97    91    95    99   0.86500  1.0 1.0
   97    91    95    99  -0.17500 -1.0 2.0
   97    91    95    99   0.20800  1.0 3.0
   97    91    95   103   0.86500  1.0 1.0
   97    91    95   103  -0.17500 -1.0 2.0
   97    91    95   103   0.20800  1.0 3.0
   93    89    91    92   0.23400  1.0 3.0
   93    89    91    95   0.86500  1.0 1.0
   93    89    91    95  -0.17500 -1.0 2.0
   93    89    91    95   0.20800  1.0 3.0
   93    89    91    97   3.75450  1.0 1.0
   73    51    57    58   0.15000  1.0 3.0
   73    51    57    59   0.15000  1.0 3.0
   73    51   -57    60   0.56750  1.0 1.0
   73    51   -57    60  -0.07550 -1.0 2.0
   73    51   -57    60   0.20000  1.0 3.0
   73    64    70    71   0.15000  1.0 3.0
   73    64    70    72   0.15000  1.0 3.0
   73    64    70    75   0.56750  1.0 1.0
   73    64    70    75  -0.07550 -1.0 2.0
   73    64    70    75   0.20000  1.0 3.0
   73    78   -39    33   0.56750  1.0 1.0
   73    78   -39    33  -0.07550 -1.0 2.0
   73    78   -39    33   0.20000  1.0 3.0
   73    78    39    40   0.15000  1.0 3.0
   73    78    39    41   0.15000  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    39   0.15000  1.0 3.0
   79    78    39    33   0.15000  1.0 3.0
   79    78    39    40   0.15000  1.0 3.0
   79    78    39    41   0.15000  1.0 3.0
   80    78    39    33   0.15000  1.0 3.0
   80    78    39    40   0.15000  1.0 3.0
   80    78    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33   -50    51   0.56750  1.0 1.0
   39    33   -50    51  -0.07550 -1.0 2.0
   39    33   -50    51   0.20000  1.0 3.0
   39    33    50    53   0.56750  1.0 1.0
   39    33    50    53  -0.07550 -1.0 2.0
   39    33    50    53   0.20000  1.0 3.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    70   0.56750  1.0 1.0
   66    63    64    70  -0.07550 -1.0 2.0
   66    63    64    70   0.20000  1.0 3.0
   66    63    64    73   0.56750  1.0 1.0
   66    63    64    73  -0.07550 -1.0 2.0
   66    63    64    73   0.20000  1.0 3.0
   66    63    81    75   0.56750  1.0 1.0
   66    63    81    75  -0.07550 -1.0 2.0
   66    63    81    75   0.20000  1.0 3.0
   66    63    81    82   0.15000  1.0 3.0
   66    63    81    83   0.56750  1.0 1.0
   66    63    81    83  -0.07550 -1.0 2.0
   66    63    81    83   0.20000  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    73   0.56750  1.0 1.0
   53    50    51    73  -0.07550 -1.0 2.0
   53    50    51    73   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
END
