* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    151    236     431
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02120    33.87806   147.39290
    3     1 S   H    _H1_     3     1.02122    84.78927   -77.16139
    4     1 S   H    _H2_     4     1.02080    95.21787    31.19959
    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     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   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     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   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   CM   _C18    36     1.73643    98.78703  -178.19355
   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   _C17    37     1.34766   119.44443   -90.04466
   38    37 S   HC   _H41    38     1.08881   118.59576   179.97202
   39    33 S   CT   _C26    81     1.50152   115.60219    89.96771
   40    39 S   F    _F28    82     1.35995   111.61521     0.01978
   41    39 S   F    _F29    83     1.35916   111.64051  -119.29450
   42    39 S   F    _F30    84     1.35726   114.09933   120.33083
   43    37 S   C3T  _C20    39     1.47644   128.18750     0.02798
   44    43 S   HC   _H42    40     1.08582   113.09949    -0.05595
   45    43 S   C3T  _C21    41     1.50045   118.64389   143.48240
   46    45 S   HC   _H43    42     1.08636   117.51663  -142.60318
   47    43 S   C3T  _C22    43     1.50014   120.46094  -146.33260
   48    45 S   CO4  _C19    52     1.47342   118.69197     0.06256
   49    48 S   O    _O25    53     1.22429   124.04072   125.88183
   50    47 S   CT   _C23    44     1.49208   117.39831   142.88554
   51    50 S   HC   _H44    45     1.10098   111.56218   179.96044
   52    50 S   HC   _H45    46     1.10078   111.55525    59.92345
   53    50 S   HC   _H46    47     1.10146   111.53440   -60.05070
   54    47 S   CT   _C24    48     1.49203   119.82570    -1.31641
   55    54 S   HC   _H47    49     1.10151   111.54409  -179.97202
   56    54 S   HC   _H48    50     1.10066   111.52784    60.04891
   57    54 S   HC   _H49    51     1.10102   111.55415   -59.99540
   58    48 S   OS   _O27    54     1.36354   109.56121   -54.10928
   59    58 S   CT   _C25    55     1.43036   115.45645  -179.95577
   60    59 S   HC   _H50    56     1.09640   106.47286    29.93512
   61    59 S   CZ   _C4_    57     1.46980   110.14297   -88.72002
   62    61 S   NZ   _N24    58     1.16044   179.80923    62.22283
   63    59 S   CA   _C14    59     1.51114   109.25035   148.05511
   64    63 S   CA   _C9_    60     1.39477   120.00722  -116.15195
   65    64 S   HA   _H36    61     1.08771   120.50261    -0.01978
   66    64 S   CA   _C8_    62     1.39446   120.02765   179.89913
   67    66 S   HA   _H35    63     1.08644   120.03908   179.96574
   68    66 S   CA   _C12    64     1.39490   120.00234     0.03956
   69    68 S   HA   _H39    65     1.08643   119.66487   179.96044
   70    68 S   CA   _C16    66     1.39540   119.99462    -0.01978
   71    63 S   CA   _C13    67     1.39490   120.02279    63.79027
   72    71 S   HA   _H40    68     1.08757   120.14574     0.04846
   73    70 S   OS   _O26    69     1.36105   119.99578   179.97202
   74    73 S   CA   _C15    70     1.38461   117.67961  -135.02382
   75    74 S   CA   _C10    71     1.39505   119.94550  -135.07235
   76    75 S   HA   _H37    72     1.08589   120.35500    -0.02798
   77    75 S   CA   _C6_    73     1.39545   119.94893  -179.92338
   78    77 S   HA   _H33    74     1.08652   119.98709   179.98022
   79    77 S   CA   _C5_    75     1.39424   120.00782     0.00000
   80    79 S   HA   _H32    76     1.08627   119.95193  -180.00000
   81    79 S   CA   _C7_    77     1.39505   120.04324    -0.00000
   82    81 S   HA   _H34    78     1.08569   120.02782  -179.96574
   83    74 S   CA   _C11    79     1.39424   120.01119    45.01743
   84    83 S   HA   _H38    80     1.08587   120.40842     0.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  10   2   1   1  13   5   4   2   1   1  15   6  14   6  11   8
   2   7   3   2   1   3   2   1   1   7  10   5   4   1   9   8
   4   6   3   6   3   6   3   1   7   9   8   4   6   3   5   3
   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    50    54    48    39    40    41    42  
   43    44    45    47    39  
   40    41    42    43  
   41    42  
   42  
    0  
   44    45    46    47    50    51    52    53    54    55    56    57    48    49    58  
   45    46    47    50    54    48  
   46    47    50    51    52    53    54    55    56    57    48    49    58    59  
   47    50    54    48    49    58  
   50    51    52    53    54    55    56    57    48    49    58  
   49    58    59    60    61    63    50    54  
   58    59  
   51    52    53    54    55    56    57  
   52    53    54  
   53    54  
   54  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    64    71  
   60    61    62    63    64    65    66    70    71    72  
   61    62    63    64    71  
   62    63    64    71  
   63  
   64    65    66    67    68    70    71    72    73  
   65    66    67    68    69    70    71    72  
   66    67    68    71  
   67    68    69    70    71    73  
   68    69    70  
   69    70    71    72    73    74  
   70    71    73  
   71    72    73    74    75    83  
   72    73    74  
   73  
   74    75    76    77    81    83    84  
   75    76    77    78    79    81    82    83    84  
   76    77    78    79    80    81    83    84  
   77    78    79    83  
   78    79    80    81    82    83  
   79    80    81  
   80    81    82    83    84  
   81    82    83  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.2500   0.0620   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   41   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   42   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   62   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   63   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   240.000  1.763
   33    37   549.000  1.340
   33    39   317.000  1.510
   37    38   340.000  1.080
   37    43   305.000  1.480
   43    44   340.000  1.088
   43    45   260.000  1.509
   43    47   260.000  1.509
   45    46   340.000  1.088
   45    47   260.000  1.509
   45    48   290.000  1.496
   47    50   275.000  1.510
   47    54   275.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   48    49   570.000  1.229
   48    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   390.000  1.470
   59    63   317.000  1.510
   61    62   650.000  1.157
   63    64   469.000  1.400
   63    71   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   73    74   450.000  1.364
   74    75   469.000  1.400
   74    83   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   39    40   367.000  1.332
   39    41   367.000  1.332
   39    42   367.000  1.332
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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    39    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    43    55.00000  125.06700
   33    39    40    85.00000  110.69400
   33    39    41    85.00000  110.69400
   33    39    42    85.00000  110.69400
   37    43    44    40.00000  112.45000
   37    43    45    60.00000  120.58800
   37    43    47    60.00000  120.58800
   43    37    38    40.00000  117.24000
   43    45    46    37.50000  117.20000
   43    45    47    10.00000   60.00500
   43    45    48    65.00000  117.18000
   43    47    45    10.00000   60.00500
   43    47    50    60.00000  120.94000
   43    47    54    60.00000  120.94000
   45    43    44    37.50000  117.20000
   45    47    50    60.00000  120.94000
   45    47    54    60.00000  120.94000
   45    48    49    75.00000  121.36600
   45    48    58    81.00000  111.40000
   47    43    44    37.50000  117.20000
   47    43    45    10.00000   60.00500
   47    45    46    37.50000  117.20000
   47    50    51    45.00000  109.38400
   47    50    52    45.00000  109.38400
   47    50    53    45.00000  109.38400
   47    54    55    45.00000  109.38400
   47    54    56    45.00000  109.38400
   47    54    57    45.00000  109.38400
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    47    50    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   48    45    46    40.00000  116.18000
   48    45    47    65.00000  117.18000
   48    58    59    83.00000  116.90000
   58    48    49    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    90.00000  109.17800
   58    59    63    85.00000  111.85700
   59    61    62   150.00000  180.00000
   59    63    64    70.00000  120.00000
   59    63    71    70.00000  120.00000
   61    59    60    35.00000  108.50000
   63    59    60    35.00000  109.50000
   63    59    61    70.00000  111.71400
   63    64    65    35.00000  120.00000
   63    64    66    63.00000  120.00000
   63    71    70    63.00000  120.00000
   63    71    72    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    73    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    73    74    85.00000  114.70000
   71    63    64    63.00000  120.00000
   73    70    71    70.00000  120.00000
   73    74    75    70.00000  120.00000
   73    74    83    70.00000  120.00000
   74    75    76    35.00000  120.00000
   74    75    77    63.00000  120.00000
   74    83    81    63.00000  120.00000
   74    83    84    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   83    74    75    63.00000  120.00000
   83    81    82    35.00000  120.00000
   39    33    37    70.00000  124.00000
   41    39    40    77.00000  109.10000
   42    39    40    77.00000  109.10000
   42    39    41    77.00000  109.10000
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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    39   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    43   7.00000 -1.0 2.0
   29    33    39    40   0.09700  1.0 1.0
   29    33    39    40   0.15600 -1.0 2.0
   29    33    39    40  -0.50800  1.0 3.0
   29    33    39    41   0.09700  1.0 1.0
   29    33    39    41   0.15600 -1.0 2.0
   29    33    39    41  -0.50800  1.0 3.0
   29    33    39    42   0.09700  1.0 1.0
   29    33    39    42   0.15600 -1.0 2.0
   29    33    39    42  -0.50800  1.0 3.0
   33    37    43    44   0.00000  1.0 1.0
   33    37    43    45   0.09850  1.0 1.0
   33    37    43    45   0.15250 -1.0 2.0
   33    37    43    45  -0.50650  1.0 3.0
   33    37    43    47   0.09850  1.0 1.0
   33    37    43    47   0.15250 -1.0 2.0
   33    37    43    47  -0.50650  1.0 3.0
   37    33    39    40   0.24700  1.0 1.0
   37    33    39    40   0.40650 -1.0 2.0
   37    33    39    40  -0.40300  1.0 3.0
   37    33    39    41   0.24700  1.0 1.0
   37    33    39    41   0.40650 -1.0 2.0
   37    33    39    41  -0.40300  1.0 3.0
   37    33    39    42   0.24700  1.0 1.0
   37    33    39    42   0.40650 -1.0 2.0
   37    33    39    42  -0.40300  1.0 3.0
   37    43    45    46   0.15000  1.0 3.0
   37    43   -45    47   0.34400  1.0 1.0
   37    43   -45    47   0.09450 -1.0 2.0
   37    43   -45    47   0.11100  1.0 3.0
   37    43    45    48  -0.98800  1.0 1.0
   37    43    45    48   0.48800 -1.0 2.0
   37    43    45    48   0.76800  1.0 3.0
   37    43   -47    45   0.34400  1.0 1.0
   37    43   -47    45   0.09450 -1.0 2.0
   37    43   -47    45   0.11100  1.0 3.0
   37    43    47    50   0.34400  1.0 1.0
   37    43    47    50   0.09450 -1.0 2.0
   37    43    47    50   0.11100  1.0 3.0
   37    43    47    54   0.34400  1.0 1.0
   37    43    47    54   0.09450 -1.0 2.0
   37    43    47    54   0.11100  1.0 3.0
   38    37    43    44   0.33100  1.0 3.0
   38    37    43    45   0.00000  1.0 1.0
   38    37    43    47   0.00000  1.0 1.0
   43    45   -47    50   0.07850  1.0 1.0
   43    45   -47    50  -0.03950 -1.0 2.0
   43    45   -47    50   0.67350  1.0 3.0
   43    45   -47    54   0.07850  1.0 1.0
   43    45   -47    54  -0.03950 -1.0 2.0
   43    45   -47    54   0.67350  1.0 3.0
   43    45    48    49   0.30150 -1.0 2.0
   43    45    48    58   0.36750  1.0 3.0
   43    47    50    51   0.15000  1.0 3.0
   43    47    50    52   0.15000  1.0 3.0
   43    47    50    53   0.15000  1.0 3.0
   43    47    54    55   0.15000  1.0 3.0
   43    47    54    56   0.15000  1.0 3.0
   43    47    54    57   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43   -45    47   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43   -47    45   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    47    54   0.15000  1.0 3.0
   45    43   -47    50   0.07850  1.0 1.0
   45    43   -47    50  -0.03950 -1.0 2.0
   45    43   -47    50   0.67350  1.0 3.0
   45    43   -47    54   0.07850  1.0 1.0
   45    43   -47    54  -0.03950 -1.0 2.0
   45    43   -47    54   0.67350  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    52   0.15000  1.0 3.0
   45    47    50    53   0.15000  1.0 3.0
   45    47    54    55   0.15000  1.0 3.0
   45    47    54    56   0.15000  1.0 3.0
   45    47    54    57   0.15000  1.0 3.0
   45    48    58    59   1.63150  1.0 1.0
   45    48    58    59   2.92000 -1.0 2.0
   46    45   -47    43   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    47    54   0.15000  1.0 3.0
   46    45    48    49   0.50000  1.0 3.0
   46    45    48    58   0.00000  1.0 1.0
   47    43   -45    46   0.15000  1.0 3.0
   47    43   -45    48  -0.95700  1.0 1.0
   47    43   -45    48  -0.18200 -1.0 2.0
   47    43   -45    48   0.29450  1.0 3.0
   47    45    48    49   0.30150 -1.0 2.0
   47    45    48    58   0.36750  1.0 3.0
   50    47    54    55   0.15000  1.0 3.0
   50    47    54    56   0.15000  1.0 3.0
   50    47    54    57   0.15000  1.0 3.0
   54    47    50    51   0.15000  1.0 3.0
   54    47    50    52   0.15000  1.0 3.0
   54    47    50    53   0.15000  1.0 3.0
   48    45   -47    43  -0.95700  1.0 1.0
   48    45   -47    43  -0.18200 -1.0 2.0
   48    45   -47    43   0.29450  1.0 3.0
   48    45    47    50  -0.95700  1.0 1.0
   48    45    47    50  -0.18200 -1.0 2.0
   48    45    47    50   0.29450  1.0 3.0
   48    45    47    54  -0.95700  1.0 1.0
   48    45    47    54  -0.18200 -1.0 2.0
   48    45    47    54   0.29450  1.0 3.0
   48    58    59    60   0.08050  1.0 3.0
   48    58    59    61  -0.24150  1.0 1.0
   48    58    59    61  -0.46200 -1.0 2.0
   48    58    59    61   0.11700  1.0 3.0
   48    58    59    63  -0.43900 -1.0 2.0
   48    58    59    63   0.14100  1.0 3.0
   49    48    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.00000  1.0 1.0
   58    59    63    64   0.64500  1.0 1.0
   58    59    63    64   0.14800 -1.0 2.0
   58    59    63    64   0.20650  1.0 3.0
   58    59    63    71   0.64500  1.0 1.0
   58    59    63    71   0.14800 -1.0 2.0
   58    59    63    71   0.20650  1.0 3.0
   59    63    64    65   3.62500 -1.0 2.0
   59    63    64    66   3.62500 -1.0 2.0
   59    63    71    70   3.62500 -1.0 2.0
   59    63    71    72   3.62500 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    71   0.00000  1.0 1.0
   61    59    63    64   0.04300 -1.0 2.0
   61    59    63    71   0.04300 -1.0 2.0
   63    59    61    62   0.00000  1.0 1.0
   63    64    66    67   3.62500 -1.0 2.0
   63    64    66    68   3.62500 -1.0 2.0
   64    63    71    70   3.62500 -1.0 2.0
   64    63    71    72   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66   -68    70   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68    70    73   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70   -71    63   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    73    74   0.47150 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    73   3.62500 -1.0 2.0
   70    73    74    75   0.47150 -1.0 2.0
   70    73    74    83   0.47150 -1.0 2.0
   71    63    64    65   3.62500 -1.0 2.0
   71    63   -64    66   3.62500 -1.0 2.0
   71    70    73    74   0.47150 -1.0 2.0
   73    70    71    63   3.62500 -1.0 2.0
   73    70    71    72   3.62500 -1.0 2.0
   73    74    75    76   3.62500 -1.0 2.0
   73    74    75    77   3.62500 -1.0 2.0
   73    74    83    81   3.62500 -1.0 2.0
   73    74    83    84   3.62500 -1.0 2.0
   74    75    77    78   3.62500 -1.0 2.0
   74    75    77    79   3.62500 -1.0 2.0
   75    74    83    81   3.62500 -1.0 2.0
   75    74    83    84   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77   -79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   77    79    81    83   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81   -83    74   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   82    81    83    74   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   83    74    75    76   3.62500 -1.0 2.0
   83    74   -75    77   3.62500 -1.0 2.0
   39    33    37    38   7.00000 -1.0 2.0
   39    33    37    43   7.00000 -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
   29    39    33    37  15.00000 -1.0 2.0
   43    38    37    33  15.00000 -1.0 2.0
   45    58    48    49  10.50000 -1.0 2.0
   64    71    63    59   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   71    73    70    68   4.00000 -1.0 2.0
   70    72    71    63   1.10000 -1.0 2.0
   75    83    74    73   4.00000 -1.0 2.0
   77    76    75    74   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   81    84    83    74   1.10000 -1.0 2.0
END
