* LIGAND DATABASE FILE (OPLS2005)
*
001      94    97    169    269     488
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02056   106.04322    -3.99111
    3     1 S   H    _H1_     3     1.02089    49.94061    97.15826
    4     1 S   H    _H2_     4     1.02101    62.36584  -107.00422
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C24    36     1.86005    96.81068   161.86599
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CM   _C15    37     1.54085   112.26786   -60.02523
   38    33 S   CT   _C25    81     1.53875   105.49391   177.80875
   39    38 S   HC   _H23    82     1.08713   108.92922   -37.61619
   40    38 S   HC   _H24    83     1.08659   109.01081  -155.72215
   41    37 S   N4   _N8_    38     1.36566   114.95958   156.39818
   42    37 S   CMA  _C16    78     1.34557   125.68951   -20.97991
   43    42 S   OM   _O6_    79     1.38560   118.58599  -180.00000
   44    42 S   OM   _O7_    80     1.38561   118.58953    -0.09279
   45    38 S   NAP  _N9_    84     1.44802   110.37746    83.30113
   46    41 S   C4   _C5_    39     1.35383   138.30102  -169.16162
   47    46 S   O    _O1_    40     1.20892   134.33353    -0.97136
   48    41 S   C4T  _C23    43     1.45035   124.50352    17.78208
   49    48 S   HC   _H22    44     1.09903   112.89160    71.84882
   50    45 S   CA   _C20    85     1.33983   118.83664   104.71920
   51    50 S   HA   _H18    86     1.08307   117.08304     0.02798
   52    46 S   C4T  _C4_    41     1.55022    89.84560   176.46565
   53    52 S   HC   _H4_    42     1.09588   113.01767   122.15276
   54    48 S   S    _S2_    45     1.80520   112.84082   -60.30990
   55    50 S   CA   _C18    87     1.38775   120.08676   180.00000
   56    55 S   HA   _H16    88     1.08445   120.56542  -180.00000
   57    33 S   CT   _C22    46     1.55354   103.52688    59.51489
   58    57 S   HC   _H20    47     1.11660   111.16029   -50.75325
   59    57 S   HC   _H21    48     1.11597   109.22070    62.68611
   60    52 S   N    _N4_    49     1.46258   113.49398  -110.54681
   61    60 S   H    _H3_    50     1.00746   116.94846   112.25282
   62    55 S   CA   _C17    89     1.39078   118.80949     0.03956
   63    62 S   HA   _H15    90     1.08549   120.07747  -179.98022
   64    60 S   C    _C10    51     1.36617   122.14091   -68.49434
   65    64 S   O    _O33    52     1.22059   130.00002     0.09691
   66    62 S   CA   _C19    91     1.39204   119.88289    -0.05595
   67    66 S   HA   _H17    92     1.08579   120.58966  -179.94405
   68    64 S   CD   _C9_    53     1.50623   111.84900   179.83687
   69    45 S   CA   _C21    93     1.34058   118.79040   -75.26198
   70    69 S   HA   _H19    94     1.08240   117.14827    -0.01978
   71    68 S   C5B  _C7_    54     1.48748   118.85320    90.01174
   72    68 S   NI   _N6_    63     1.29888   120.29772   -90.28831
   73    71 S   C5A  _C6_    55     1.37941   123.77305   179.96574
   74    73 S   HA   _H5_    56     1.08081   128.95796     0.14402
   75    72 S   OS   _O5_    64     1.40190   111.74026     0.02798
   76    73 S   SA   _S1_    57     1.71505   109.64431   179.81233
   77    75 S   CT   _C14    65     1.41873   108.08654   179.96574
   78    76 S   CRA  _C8_    58     1.71629    89.15906     0.10835
   79    77 S   C    _C11    66     1.52360   105.58066  -180.00000
   80    79 S   O    _O3_    67     1.22463   124.42585     3.06727
   81    77 S   CT   _C12    70     1.52551   108.03491    60.96080
   82    81 S   HC   _H6_    71     1.09528   112.18988   -64.56034
   83    81 S   HC   _H7_    72     1.09601   110.93710    56.60966
   84    81 S   HC   _H8_    73     1.09647   110.74313   174.85144
   85    77 S   CT   _C13    74     1.52569   108.08651   -60.88323
   86    85 S   HC   _H9_    75     1.09741   110.68834    64.53219
   87    85 S   HC   _H10    76     1.09424   112.22049   -56.01811
   88    85 S   HC   _H11    77     1.09585   110.95266  -177.30006
   89    71 S   N5B  _N5_    59     1.38117   120.34879    -0.06256
   90    78 S   NE   _N7_    60     1.35942   119.30989   179.88465
   91    90 S   H    _H12    61     1.02571   121.70239   176.89922
   92    90 S   H    _H13    62     1.02636   121.62161     3.20418
   93    79 S   OH   _O4_    68     1.35798   113.34377  -176.94751
   94    93 S   HO   _H14    69     0.98024   115.93927   179.98022
  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
  17   2   1   1  17  15   5   4  12   5   1   1  10   9   4  10
   5   8   4   8   4   4   6   3   2   1   1   6   3   5   3   7
   3   3   2   9   1   1   8   7   5   3  12   5  12   4  11   4
   8   3   2   1   4   2   1   1   3   2   1   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    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    57    58    59    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    54    57    58    59    42    43    44    38    39    40    45    50    69  
   35    36  
   36  
    0  
   41    46    47    52    48    49    54    57    58    59    42    43    44    38    39    40    45  
   39    40    45    50    51    55    66    69    70    41    42    54    57    58    59  
   40    45    50    69    57  
   45    50    69    57  
   46    47    52    53    48    49    54    57    60    42    43    44  
   43    44    46    48    57  
   44  
    0  
   50    51    55    56    62    66    67    69    70    57  
   47    52    53    48    49    54    60    61    64  
   52    53    48    60  
   49    54    57    58    59    60    61    64    52    53  
   54    57    60    52    53  
   51    55    56    62    63    66    69    70  
   55    56    62    69  
   53    54    57    60    61    64    65    68  
   54    60    61    64  
   57    58    59    60  
   56    62    63    66    67    69  
   62    63    66  
   58    59  
   59  
    0  
   61    64    65    68    71    72  
   64    65    68  
   63    66    67    69    70  
   66    67    69  
   65    68    71    73    89    72    75  
   68    71    72  
   67    69    70  
   69    70  
   71    73    74    76    78    89    72    75    77  
   70  
    0  
   73    74    76    78    89    90    72    75  
   75    77    79    81    85    73    89  
   74    76    78    89    90  
   76    78    89  
   77    79    80    93    81    82    83    84    85    86    87    88  
   78    89    90    91    92  
   79    80    93    94    81    82    83    84    85    86    87    88  
   89    90    91    92  
   80    93    94    81    82    83    84    85    86    87    88  
   93    94    81    85  
   82    83    84    85    86    87    88    93  
   83    84    85  
   84    85  
   85  
   86    87    88    93  
   87    88  
   88  
    0  
   90    91    92  
   91    92  
   92  
    0  
   94  
    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  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   68   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   72   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   73   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   75   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   77   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   79   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   90   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   91   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   92   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.450000   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    57   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    53   340.000  1.090
   52    48   268.000  1.529
   52    60   337.000  1.449
   48    49   340.000  1.090
   48    54   200.000  1.824
   54    57   222.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   434.000  1.010
   60    64   490.000  1.335
   64    65   570.000  1.229
   64    68   270.000  1.486
   68    71   305.000  1.466
   68    72   500.000  1.261
   71    73   520.000  1.370
   71    89   410.000  1.394
   73    74   367.000  1.080
   73    76   265.000  1.745
   76    78   250.000  1.765
   78    89   488.000  1.335
   78    90   420.000  1.385
   90    91   434.000  1.010
   90    92   434.000  1.010
   72    75   320.000  1.394
   75    77   320.000  1.410
   77    79   317.000  1.522
   77    81   268.000  1.529
   77    85   268.000  1.529
   79    80   570.000  1.229
   79    93   450.000  1.364
   93    94   553.000  0.945
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   280.000  1.457
   45    50   485.000  1.342
   45    69   485.000  1.342
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    56   367.000  1.080
   55    62   469.000  1.400
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    70   367.000  1.080
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    57    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    57    54    75.00000  111.63000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  109.47200
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    54    80.00000  108.62000
   46    52    53    40.00000  113.37500
   46    52    48   100.00000   86.36000
   46    52    60    75.00000  110.24000
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    54    65.00000  119.05700
   52    60    61    38.00000  118.40000
   52    60    64    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    52    53    37.50000  110.70000
   48    54    57    85.00000   99.86700
   54    48    49    45.00000  109.41400
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    52    53    50.00000  112.01000
   60    52    48    80.00000  110.05700
   60    64    65    80.00000  122.90000
   60    64    68    75.00000  109.57000
   64    60    61    35.00000  119.80000
   64    68    71    75.00000  114.44000
   64    68    72    65.00000  123.79500
   68    64    65    80.00000  120.45000
   68    71    73    60.00000  121.09900
   68    71    89    60.00000  126.00000
   68    72    75   100.00000  109.52600
   71    73    74    35.00000  130.70000
   71    73    76    80.00000  111.29200
   71    89    78    70.00000  110.00000
   73    76    78   120.00000   89.04400
   76    73    74    40.00000  122.38200
   76    78    89    80.00000  114.57700
   76    78    90    70.00000  122.29500
   78    90    91    35.00000  113.50000
   78    90    92    35.00000  113.50000
   89    71    73    70.00000  111.00000
   90    78    89    75.00000  125.31200
   92    90    91    35.00000  109.00000
   72    68    71    65.00000  124.33800
   72    75    77   110.00000  106.71400
   75    77    79    90.00000  108.55600
   75    77    81    50.00000  109.50000
   75    77    85    50.00000  109.50000
   77    79    80    80.00000  120.40000
   77    79    93    70.00000  108.00000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    84    37.50000  110.70000
   77    85    86    37.50000  110.70000
   77    85    87    37.50000  110.70000
   77    85    88    37.50000  110.70000
   79    93    94    35.00000  113.00000
   93    79    80   100.00000  123.32000
   81    77    79    63.00000  111.10000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    77    79    63.00000  111.10000
   85    77    81    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    57    58.35000  112.70000
   38    45    50    70.00000  119.18700
   38    45    69    70.00000  119.18700
   40    38    39    33.00000  107.80000
   45    38    39    50.00000  106.41000
   45    38    40    50.00000  106.41000
   45    50    51    45.00000  112.84900
   45    50    55    70.00000  119.29800
   45    69    66    70.00000  119.29800
   45    69    70    45.00000  112.84900
   50    55    56    35.00000  120.00000
   50    55    62    63.00000  120.00000
   55    50    51    35.00000  120.00000
   55    62    63    35.00000  120.00000
   55    62    66    63.00000  120.00000
   62    55    56    35.00000  120.00000
   62    66    67    35.00000  120.00000
   62    66    69    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    69    70    35.00000  120.00000
   69    45    50    70.00000  123.81700
   69    66    67    35.00000  120.00000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    54   0.56750  1.0 1.0
   29    33    57    54  -0.07550 -1.0 2.0
   29    33    57    54   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50   0.00000  1.0 1.0
   33    38    45    69   0.00000  1.0 1.0
   37    33    57    54   0.56750  1.0 1.0
   37    33    57    54  -0.07550 -1.0 2.0
   37    33    57    54   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    52    53   0.00000  1.0 1.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    60   0.00000  1.0 1.0
   41    48    54    57   0.01700  1.0 1.0
   41    48    54    57  -0.23550 -1.0 2.0
   41    48    54    57   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    54   0.00000  1.0 1.0
   46    52    60    61   0.00000  1.0 1.0
   46    52    60    64  -0.42300  1.0 1.0
   46    52    60    64  -0.07000 -1.0 2.0
   46    52    60    64   0.04150  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    60   0.30150 -1.0 2.0
   52    48    54    57   0.25150  1.0 1.0
   52    48    54    57  -1.17200 -1.0 2.0
   52    48    54    57   0.53050  1.0 3.0
   52    60    64    65   3.04450 -1.0 2.0
   52    60    64    68   1.49850  1.0 1.0
   52    60    64    68   1.53950 -1.0 2.0
   53    52   -48    41   0.15000  1.0 3.0
   53    52    48    49   0.15000  1.0 3.0
   53    52    48    54   0.00000  1.0 1.0
   53    52    60    61   0.00000  1.0 1.0
   53    52    60    64   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    60    61   0.00000  1.0 1.0
   48    52    60    64  -0.43950  1.0 1.0
   48    52    60    64  -0.08100 -1.0 2.0
   48    52    60    64   0.03350  1.0 3.0
   48    54   -57    33  -0.25000 -1.0 2.0
   48    54   -57    33  -0.01800  1.0 3.0
   48    54    57    58   0.32350  1.0 3.0
   48    54    57    59   0.32350  1.0 3.0
   49    48    54    57   0.00000  1.0 1.0
   57    33   -37    41  -0.93550  1.0 1.0
   57    33   -37    41   0.38900 -1.0 2.0
   57    33   -37    41   0.16950  1.0 3.0
   57    33    37    42   0.09850  1.0 1.0
   57    33    37    42   0.15250 -1.0 2.0
   57    33    37    42  -0.50650  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33    38    40   0.15000  1.0 3.0
   57    33    38    45   0.56750  1.0 1.0
   57    33    38    45  -0.07550 -1.0 2.0
   57    33    38    45   0.20000  1.0 3.0
   60    52   -48    41   2.20050  1.0 1.0
   60    52   -48    41   0.63450 -1.0 2.0
   60    52   -48    41  -0.91300  1.0 3.0
   60    52    48    49   0.15000  1.0 3.0
   60    52    48    54   0.00000  1.0 1.0
   60    64    68    71   1.50000 -1.0 2.0
   60    64    68    72   1.50000 -1.0 2.0
   61    60    64    65   2.45000 -1.0 2.0
   61    60    64    68   2.56700 -1.0 2.0
   64    68    71    73   0.30050 -1.0 2.0
   64    68    71    73   0.16600  1.0 3.0
   64    68    71    89   0.30050 -1.0 2.0
   64    68    71    89   0.16600  1.0 3.0
   64    68    72    75   6.00000 -1.0 2.0
   65    64    68    71   1.00000 -1.0 2.0
   65    64    68    72   1.00000 -1.0 2.0
   68    71    73    74   3.62500 -1.0 2.0
   68    71    73    76   3.62500 -1.0 2.0
   68    71    89    78   3.62500 -1.0 2.0
   68    72    75    77   1.50000 -1.0 2.0
   71    68    72    75   6.00000 -1.0 2.0
   71    73   -76    78   3.62500 -1.0 2.0
   73    71   -89    78   2.40000 -1.0 2.0
   73    76   -78    89   3.62500 -1.0 2.0
   73    76    78    90   3.62500 -1.0 2.0
   74    73    76    78   3.62500 -1.0 2.0
   76    78   -89    71   3.62500 -1.0 2.0
   76    78    90    91   0.47600 -1.0 2.0
   76    78    90    92   0.47600 -1.0 2.0
   89    71    73    74   3.62500 -1.0 2.0
   89    71   -73    76   3.62500 -1.0 2.0
   89    78    90    91   1.75000 -1.0 2.0
   89    78    90    92   1.75000 -1.0 2.0
   90    78    89    71   3.62500 -1.0 2.0
   72    68    71    73   1.02250 -1.0 2.0
   72    68    71    89   1.02250 -1.0 2.0
   72    75    77    79   0.37500  1.0 3.0
   72    75    77    81   0.37500  1.0 3.0
   72    75    77    85   0.37500  1.0 3.0
   75    77    79    80   0.30150 -1.0 2.0
   75    77    79    93   0.40000  1.0 3.0
   75    77    81    82   0.23400  1.0 3.0
   75    77    81    83   0.23400  1.0 3.0
   75    77    81    84   0.23400  1.0 3.0
   75    77    85    86   0.23400  1.0 3.0
   75    77    85    87   0.23400  1.0 3.0
   75    77    85    88   0.23400  1.0 3.0
   77    79    93    94   1.50000  1.0 1.0
   77    79    93    94   2.45000 -1.0 2.0
   79    77    81    82  -0.11250  1.0 3.0
   79    77    81    83  -0.11250  1.0 3.0
   79    77    81    84  -0.11250  1.0 3.0
   79    77    85    86  -0.11250  1.0 3.0
   79    77    85    87  -0.11250  1.0 3.0
   79    77    85    88  -0.11250  1.0 3.0
   80    79    93    94   0.92200  1.0 1.0
   80    79    93    94   3.74100 -1.0 2.0
   81    77    79    80   0.30150 -1.0 2.0
   81    77    79    93   0.50000  1.0 1.0
   81    77    79    93   0.27300 -1.0 2.0
   81    77    79    93   0.22500  1.0 3.0
   81    77    85    86   0.15000  1.0 3.0
   81    77    85    87   0.15000  1.0 3.0
   81    77    85    88   0.15000  1.0 3.0
   85    77    79    80   0.30150 -1.0 2.0
   85    77    79    93   0.50000  1.0 1.0
   85    77    79    93   0.27300 -1.0 2.0
   85    77    79    93   0.22500  1.0 3.0
   85    77    81    82   0.15000  1.0 3.0
   85    77    81    83   0.15000  1.0 3.0
   85    77    81    84   0.15000  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    57    54   0.44750  1.0 1.0
   38    33    57    54  -0.17800 -1.0 2.0
   38    33    57    54   0.20200  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    45    50    51   3.62500 -1.0 2.0
   38    45    50    55   3.62500 -1.0 2.0
   38    45    69    66   3.62500 -1.0 2.0
   38    45    69    70   3.62500 -1.0 2.0
   39    38    45    50   0.00000  1.0 1.0
   39    38    45    69   0.00000  1.0 1.0
   40    38    45    50   0.00000  1.0 1.0
   40    38    45    69   0.00000  1.0 1.0
   45    50    55    56   3.62500 -1.0 2.0
   45    50    55    62   3.62500 -1.0 2.0
   50    45    69    66   3.62500 -1.0 2.0
   50    45    69    70   3.62500 -1.0 2.0
   50    55    62    63   3.62500 -1.0 2.0
   50    55   -62    66   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   51    50    55    62   3.62500 -1.0 2.0
   55    62    66    67   3.62500 -1.0 2.0
   55    62    66    69   3.62500 -1.0 2.0
   56    55    62    63   3.62500 -1.0 2.0
   56    55    62    66   3.62500 -1.0 2.0
   62    66   -69    45   3.62500 -1.0 2.0
   62    66    69    70   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   63    62    66    69   3.62500 -1.0 2.0
   67    66    69    45   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   69    45    50    51   3.62500 -1.0 2.0
   69    45   -50    55   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   61    64    60    52   1.00000 -1.0 2.0
   60    68    64    65  10.50000 -1.0 2.0
   64    71    68    72  10.50000 -1.0 2.0
   73    89    71    68   4.00000 -1.0 2.0
   76    74    73    71   1.10000 -1.0 2.0
   89    90    78    76   4.00000 -1.0 2.0
   92    78    90    91   1.00000 -1.0 2.0
   77    93    79    80  10.50000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   50    69    45    38   4.00000 -1.0 2.0
   55    51    50    45   1.10000 -1.0 2.0
   62    56    55    50   1.10000 -1.0 2.0
   66    63    62    55   1.10000 -1.0 2.0
   69    67    66    62   1.10000 -1.0 2.0
   66    70    69    45   1.10000 -1.0 2.0
END
