* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    142    219     404
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02063   106.61712   -15.41716
    3     1 S   H    _H1_     3     1.02154    56.71989    86.34803
    4     1 S   H    _H2_     4     1.02100    55.39472  -116.97456
    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   _C18    36     1.86552    96.81719   161.87495
   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   _C13    37     1.54791   107.05548   159.99607
   38    33 S   CT   _C19    72     1.54321   106.95244    39.41127
   39    38 S   HC   _H15    73     1.08382   109.10643    37.15036
   40    38 S   HC   _H16    74     1.08481   109.12844   -83.75399
   41    37 S   N4   _N6_    38     1.36557   118.18015   103.98723
   42    37 S   CMA  _C14    68     1.34674   122.28348   -72.11841
   43    42 S   OM   _O5_    69     1.26385   126.09915     0.15826
   44    38 S   OS   _O8_    75     1.41043   107.89216   156.71559
   45    41 S   C4   _C5_    39     1.35453   137.65182  -162.24387
   46    45 S   O    _O1_    40     1.20866   134.40702    -3.63367
   47    41 S   C4T  _C17    43     1.45058   125.73007    22.92589
   48    47 S   HC   _H14    44     1.09779   112.45003    74.49862
   49    42 S   OH   _O6_    70     1.40601   111.59329  -179.86152
   50    49 S   HO   _H11    71     0.97331   105.38125  -180.00000
   51    44 S   CO4  _C15    76     1.37355   116.52388  -179.96044
   52    51 S   O    _O7_    77     1.22646   124.55208    -0.07662
   53    45 S   C4T  _C4_    41     1.55335    89.62343   172.64723
   54    53 S   HC   _H4_    42     1.09582   112.95929   124.50404
   55    47 S   S    _S1_    45     1.80220   110.27716   -54.91277
   56    51 S   N    _N7_    78     1.37355   111.19379   180.00000
   57    56 S   H    _H17    79     1.01486   119.30487   179.98022
   58    56 S   H    _H18    80     1.01498   121.35909    -0.00000
   59    33 S   CT   _C16    46     1.55645   106.33458   -74.62357
   60    59 S   HC   _H12    47     1.09665   111.80148    45.32268
   61    59 S   HC   _H13    48     1.09792   109.70500   162.55413
   62    53 S   N    _N4_    49     1.46290   113.42276  -108.39464
   63    62 S   H    _H3_    50     1.00812   116.83549   112.52623
   64    62 S   C    _C11    51     1.36627   122.22629   -68.17230
   65    64 S   O    _O33    52     1.22084   130.03387    -0.06853
   66    64 S   CD   _C10    53     1.50665   111.83383   179.80517
   67    66 S   C5A  _C9_    54     1.48698   118.88514   -90.00305
   68    66 S   NI   _N5_    62     1.29908   120.25093    89.61463
   69    67 S   C5BC _C7_    55     1.37626   131.57891    -0.06256
   70    69 S   HA   _H6_    56     1.08053   126.46709     0.00000
   71    68 S   OS   _O4_    63     1.40135   111.77010     0.10835
   72    69 S   C5BC _C6_    57     1.41528   106.11559   179.97202
   73    72 S   HA   _H5_    58     1.08079   127.57764  -179.91153
   74    71 S   CT   _C12    64     1.41968   108.10391   180.00000
   75    74 S   HC   _H8_    65     1.09282   109.51867   179.93439
   76    74 S   HC   _H9_    66     1.09331   109.49792    59.19632
   77    74 S   HC   _H10    67     1.09224   108.96247   -60.42161
   78    72 S   C5A  _C8_    59     1.37541   106.13500     0.00000
   79    78 S   HA   _H7_    60     1.08049   133.77986  -179.93147
   80    67 S   OA   _O3_    61     1.35948   117.89148   179.92087
  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
  16   2   1   1  18  12   4   3  12   6   2   6   9   4  10   5
   1   1   4   3   8   4   4   2   1   1   2   1   1   6   3   7
   3   9   9   7   6   4   4   4   3   3   2   1   1   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    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    55    59    60    61    42    38    39    40    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    45    47    55    59    60    61    42    43    49    38    39    40    44    51  
   35    36  
   36  
    0  
   41    45    46    53    47    48    55    59    60    61    42    43    49    50    38    39    40    44  
   39    40    44    51    52    56    41    42    55    59    60    61  
   40    44    51    59  
   44    51    59  
   45    46    53    54    47    48    55    59    62    42    43    49  
   43    49    50    45    47    59  
   49    50  
   51    52    56    57    58    59  
   46    53    54    47    48    55    62    63    64  
   53    54    47    62  
   48    55    59    60    61    62    63    64    53    54  
   55    59    62    53    54  
   50  
    0  
   52    56    57    58  
   56    57    58  
   54    55    59    62    63    64    65    66  
   55    62    63    64  
   59    60    61    62  
   57    58  
   58  
    0  
   60    61  
   61  
    0  
   63    64    65    66    67    68  
   64    65    66  
   65    66    67    69    80    68    71  
   66    67    68  
   67    69    70    72    78    80    68    71    74  
   69    70    72    73    78    79    80    68    71  
   71    74    75    76    77    69    80  
   70    72    73    78    79    80  
   72    73    78    80  
   74    75    76    77  
   73    78    79    80  
   78    79    80  
   75    76    77  
   76    77  
   77  
    0  
   79    80  
   80  
    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   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   56   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   58   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   59   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   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   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0700   0.123000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   69   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   71   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
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    59   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    45   440.000  1.369
   41    47   305.000  1.456
   45    46   930.000  1.212
   45    53   250.000  1.540
   53    54   340.000  1.090
   53    47   268.000  1.529
   53    62   337.000  1.449
   47    48   340.000  1.090
   47    55   200.000  1.824
   55    59   222.000  1.810
   59    60   340.000  1.090
   59    61   340.000  1.090
   62    63   434.000  1.010
   62    64   490.000  1.335
   64    65   570.000  1.229
   64    66   270.000  1.486
   66    67   340.000  1.446
   66    68   500.000  1.261
   67    69   546.000  1.367
   67    80   340.000  1.360
   69    70   367.000  1.080
   69    72   469.000  1.424
   72    73   367.000  1.080
   72    78   546.000  1.367
   78    79   367.000  1.080
   78    80   340.000  1.360
   68    71   320.000  1.394
   71    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   42    43   745.000  1.250
   42    49   510.000  1.338
   49    50   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   320.000  1.410
   44    51   214.000  1.327
   51    52   570.000  1.229
   51    56   435.000  1.380
   56    57   434.000  1.010
   56    58   434.000  1.010
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    59    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    59    55    75.00000  111.63000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    50.00000  109.50000
   37    41    45    50.00000  132.10000
   37    41    47    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    49    80.00000  121.38400
   41    45    46    75.00000  131.60000
   41    45    53    95.00000   92.72400
   41    47    53   105.00000   87.49700
   41    47    48    50.00000  112.01000
   41    47    55    80.00000  108.62000
   45    53    54    40.00000  113.37500
   45    53    47   100.00000   86.36000
   45    53    62    75.00000  110.24000
   53    45    46    60.00000  136.58000
   53    47    48    37.50000  110.70000
   53    47    55    65.00000  119.05700
   53    62    63    38.00000  118.40000
   53    62    64    50.00000  121.90000
   47    41    45   100.00000   93.00000
   47    53    54    37.50000  110.70000
   47    55    59    85.00000   99.86700
   55    47    48    45.00000  109.41400
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   59    33    37    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    53    54    50.00000  112.01000
   62    53    47    80.00000  110.05700
   62    64    65    80.00000  122.90000
   62    64    66    75.00000  109.57000
   64    62    63    35.00000  119.80000
   64    66    67    75.00000  114.44000
   64    66    68    65.00000  123.79500
   66    64    65    80.00000  120.45000
   66    67    69    50.00000  135.19500
   66    67    80    85.00000  115.13500
   66    68    71   100.00000  109.52600
   67    69    70    35.00000  125.70000
   67    69    72    70.00000  107.30000
   67    80    78    70.00000  106.50000
   69    72    73    35.00000  127.50000
   69    72    78    70.00000  107.30000
   72    69    70    35.00000  127.50000
   72    78    79    35.00000  132.10000
   72    78    80    70.00000  110.60000
   78    72    73    35.00000  125.70000
   80    67    69    70.00000  110.60000
   80    78    79    35.00000  113.40000
   68    66    67    70.00000  124.86800
   68    71    74   110.00000  106.71400
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   42    37    41    75.00000  120.83300
   42    49    50    70.00000  107.45700
   49    42    43   115.00000  116.36000
   38    33    37    70.00000  112.02700
   38    33    59    58.35000  112.70000
   38    44    51    83.00000  116.90000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    51    52    83.00000  123.40000
   44    51    56   110.00000  108.75700
   51    56    57    50.00000  116.34900
   51    56    58    50.00000  116.34900
   56    51    52    85.00000  125.96000
   58    56    57    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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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    59    55   0.56750  1.0 1.0
   29    33    59    55  -0.07550 -1.0 2.0
   29    33    59    55   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   33    37    41    45   0.00000  1.0 1.0
   33    37    41    47   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    49   7.00000 -1.0 2.0
   33    38    44    51  -0.25900  1.0 1.0
   33    38    44    51  -0.47000 -1.0 2.0
   33    38    44    51   0.11750  1.0 3.0
   37    33    59    55   0.56750  1.0 1.0
   37    33    59    55  -0.07550 -1.0 2.0
   37    33    59    55   0.20000  1.0 3.0
   37    33    59    60   0.15000  1.0 3.0
   37    33    59    61   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    44   0.61850  1.0 1.0
   37    33    38    44  -0.22750 -1.0 2.0
   37    33    38    44   0.15300  1.0 3.0
   37    41    45    46   3.00000 -1.0 2.0
   37    41    45    53   3.00000 -1.0 2.0
   37    41   -47    53   0.00000  1.0 1.0
   37    41    47    48   0.00000  1.0 1.0
   37    41   -47    55   0.00000  1.0 1.0
   37    42    49    50  -0.66100  1.0 1.0
   37    42    49    50   1.20850 -1.0 2.0
   37    42    49    50  -0.36000  1.0 3.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    49   7.00000 -1.0 2.0
   41    45    53    54   0.00000  1.0 1.0
   41    45   -53    47   3.00000 -1.0 2.0
   41    45    53    62   0.00000  1.0 1.0
   41    47    55    59   0.01700  1.0 1.0
   41    47    55    59  -0.23550 -1.0 2.0
   41    47    55    59   0.21350  1.0 3.0
   45    41   -47    53   0.00000  1.0 1.0
   45    41    47    48   0.00000  1.0 1.0
   45    41    47    55   0.00000  1.0 1.0
   45    53   -47    41   3.00000 -1.0 2.0
   45    53   -47    48   0.15000  1.0 3.0
   45    53   -47    55   0.00000  1.0 1.0
   45    53    62    63   0.00000  1.0 1.0
   45    53    62    64  -0.42300  1.0 1.0
   45    53    62    64  -0.07000 -1.0 2.0
   45    53    62    64   0.04150  1.0 3.0
   46    45    53    54   0.00000  1.0 1.0
   46    45    53    47  -0.11250  1.0 1.0
   46    45    53    47   0.11400 -1.0 2.0
   46    45    53    47  -0.28950  1.0 3.0
   46    45    53    62   0.30150 -1.0 2.0
   53    47    55    59   0.25150  1.0 1.0
   53    47    55    59  -1.17200 -1.0 2.0
   53    47    55    59   0.53050  1.0 3.0
   53    62    64    65   3.04450 -1.0 2.0
   53    62    64    66   1.49850  1.0 1.0
   53    62    64    66   1.53950 -1.0 2.0
   54    53   -47    41   0.15000  1.0 3.0
   54    53    47    48   0.15000  1.0 3.0
   54    53    47    55   0.00000  1.0 1.0
   54    53    62    63   0.00000  1.0 1.0
   54    53    62    64   0.00000  1.0 1.0
   47    41   -45    46   3.00000 -1.0 2.0
   47    41   -45    53   3.00000 -1.0 2.0
   47    53    62    63   0.00000  1.0 1.0
   47    53    62    64  -0.43950  1.0 1.0
   47    53    62    64  -0.08100 -1.0 2.0
   47    53    62    64   0.03350  1.0 3.0
   47    55   -59    33  -0.25000 -1.0 2.0
   47    55   -59    33  -0.01800  1.0 3.0
   47    55    59    60   0.32350  1.0 3.0
   47    55    59    61   0.32350  1.0 3.0
   48    47    55    59   0.00000  1.0 1.0
   59    33   -37    41  -0.93550  1.0 1.0
   59    33   -37    41   0.38900 -1.0 2.0
   59    33   -37    41   0.16950  1.0 3.0
   59    33    37    42   0.09850  1.0 1.0
   59    33    37    42   0.15250 -1.0 2.0
   59    33    37    42  -0.50650  1.0 3.0
   59    33    38    39   0.15000  1.0 3.0
   59    33    38    40   0.15000  1.0 3.0
   59    33    38    44   0.62750  1.0 1.0
   59    33    38    44  -0.30950 -1.0 2.0
   59    33    38    44   0.27300  1.0 3.0
   62    53   -47    41   2.20050  1.0 1.0
   62    53   -47    41   0.63450 -1.0 2.0
   62    53   -47    41  -0.91300  1.0 3.0
   62    53    47    48   0.15000  1.0 3.0
   62    53    47    55   0.00000  1.0 1.0
   62    64    66    67   1.50000 -1.0 2.0
   62    64    66    68   1.50000 -1.0 2.0
   63    62    64    65   2.45000 -1.0 2.0
   63    62    64    66   2.56700 -1.0 2.0
   64    66    67    69   0.30050 -1.0 2.0
   64    66    67    69   0.16600  1.0 3.0
   64    66    67    80   0.30050 -1.0 2.0
   64    66    67    80   0.16600  1.0 3.0
   64    66    68    71   6.00000 -1.0 2.0
   65    64    66    67   1.00000 -1.0 2.0
   65    64    66    68   1.00000 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    72   3.62500 -1.0 2.0
   66    67    80    78   3.62500 -1.0 2.0
   66    68    71    74   1.50000 -1.0 2.0
   67    66    68    71   6.00000 -1.0 2.0
   67    69    72    73   3.62500 -1.0 2.0
   67    69   -72    78   3.62500 -1.0 2.0
   69    67   -80    78   3.62500 -1.0 2.0
   69    72    78    79   3.62500 -1.0 2.0
   69    72   -78    80   3.62500 -1.0 2.0
   70    69    72    73   3.62500 -1.0 2.0
   70    69    72    78   3.62500 -1.0 2.0
   72    78   -80    67   3.62500 -1.0 2.0
   73    72    78    79   3.62500 -1.0 2.0
   73    72    78    80   3.62500 -1.0 2.0
   79    78    80    67   3.62500 -1.0 2.0
   80    67    69    70   3.62500 -1.0 2.0
   80    67   -69    72   3.62500 -1.0 2.0
   68    66    67    69   1.02250 -1.0 2.0
   68    66    67    80   1.02250 -1.0 2.0
   68    71    74    75   0.37500  1.0 3.0
   68    71    74    76   0.37500  1.0 3.0
   68    71    74    77   0.37500  1.0 3.0
   42    37    41    45   0.00000  1.0 1.0
   42    37    41    47   0.00000  1.0 1.0
   43    42    49    50   2.00000 -1.0 2.0
   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    59    55   0.44750  1.0 1.0
   38    33    59    55  -0.17800 -1.0 2.0
   38    33    59    55   0.20200  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    61   0.15000  1.0 3.0
   38    44    51    52   3.00000 -1.0 2.0
   38    44    51    56  -0.80800  1.0 1.0
   38    44    51    56   2.06850 -1.0 2.0
   39    38    44    51   0.08050  1.0 3.0
   40    38    44    51   0.08050  1.0 3.0
   44    51    56    57   2.56700 -1.0 2.0
   44    51    56    58   2.56700 -1.0 2.0
   52    51    56    57   2.45000 -1.0 2.0
   52    51    56    58   2.45000 -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
   47    45    41    37   1.00000 -1.0 2.0
   41    53    45    46  10.50000 -1.0 2.0
   63    64    62    53   1.00000 -1.0 2.0
   62    66    64    65  10.50000 -1.0 2.0
   64    67    66    68  10.50000 -1.0 2.0
   69    80    67    66   4.00000 -1.0 2.0
   72    70    69    67   1.10000 -1.0 2.0
   78    73    72    69   1.10000 -1.0 2.0
   80    79    78    72   1.10000 -1.0 2.0
   43    49    42    37   1.10000 -1.0 2.0
   44    56    51    52  10.50000 -1.0 2.0
   58    51    56    57   1.00000 -1.0 2.0
END
