* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    157    231     446
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02056    93.87723    33.71807
    3     1 S   H    _H1_     3     1.02118    33.41329   152.40232
    4     1 S   H    _H2_     4     1.02105    86.36433   -74.83172
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.80585    98.13950   161.76202
   34    33 S   HC   _H3_    37     1.09755   105.29047    36.15015
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CA   _C7_    38     1.52103   109.40055   -79.97762
   39    33 S   CT   _C21    73     1.55372   110.40735   153.08790
   40    39 S   HC   _H15    74     1.09753   109.61070    64.47736
   41    38 S   CA   _C8_    39     1.39489   120.03685   114.25812
   42    41 S   HA   _H8_    40     1.08639   120.49262    -0.07133
   43    39 S   CZ   _C22    75     1.48003   110.73533   -54.93090
   44    43 S   NZ   _N4_    76     1.16125   179.80517   113.75284
   45    39 S   C    _C23    77     1.53792   111.71594  -174.17462
   46    45 S   O    _O35    78     1.22870   121.20024    88.46411
   47    41 S   CA   _C9_    41     1.39490   120.01640   179.88809
   48    47 S   HA   _H9_    42     1.08689   119.57570   179.92338
   49    45 S   N    _N5_    79     1.39202   111.71959   -93.26278
   50    49 S   H    _H16    80     1.01746   116.22808     1.88159
   51    47 S   CA   _C10    43     1.39455   119.99217     0.00000
   52    49 S   CRA  _C24    81     1.41541   127.48198  -178.14776
   53    51 S   CA   _C5_    44     1.39428   120.02419    -0.00000
   54    51 S   OS   _O34    52     1.36299   119.41039  -180.00000
   55    52 S   N5B  _N6_    82     1.31610   128.52104     0.05234
   56    38 S   CA   _C6_    45     1.39494   120.00946   -65.85532
   57    56 S   HA   _H7_    46     1.08757   120.15646     0.01978
   58    53 S   OS   _O33    47     1.36248   120.54910  -180.00000
   59    54 S   CT   _C11    53     1.42681   116.98294   -60.00855
   60    59 S   HC   _H10    54     1.09482   109.04327    90.00111
   61    59 S   HC   _H11    55     1.09523   109.13158   -27.62806
   62    55 S   N5B  _N7_    83     1.38337   111.75886  -179.70658
   63    58 S   CT   _C4_    48     1.42531   117.06058    89.95190
   64    63 S   HC   _H4_    49     1.09314   109.53790  -180.00000
   65    63 S   HC   _H5_    50     1.09316   109.56574    59.23192
   66    63 S   HC   _H6_    51     1.09258   108.99218   -60.38128
   67    59 S   CA   _C12    56     1.50048   108.98897  -148.68679
   68    62 S   CRA  _C25    84     1.31623   111.75467    -0.09891
   69    67 S   CA   _C13    57     1.39524   119.07524   104.91833
   70    69 S   HA   _H12    58     1.08743   120.51941    -0.03426
   71    52 S   SA   _S1_    85     1.71508   116.69764  -179.73459
   72    68 S   CT   _C26    86     1.47618   125.22017  -179.80719
   73    72 S   F    F7__    87     1.37257   114.21432    -0.02798
   74    72 S   F    F8__    88     1.37251   114.17962   120.10827
   75    72 S   F    F9__    89     1.37093   113.19947  -119.98262
   76    69 S   CA   _C14    59     1.39429   120.04893   179.90721
   77    76 S   HA   _H13    60     1.08637   119.52339   179.98022
   78    76 S   CA   _C15    61     1.39539   119.97802    -0.03426
   79    78 S   CA   _C16    62     1.39527   120.01144     0.01978
   80    79 S   HA   _H14    63     1.08739   119.96878   179.92598
   81    78 S   CT   _C19    69     1.49101   119.99219  -179.98022
   82    81 S   F    F4__    70     1.36565   113.64267     0.02798
   83    81 S   F    F5__    71     1.36617   113.60502   120.10916
   84    81 S   F    F6__    72     1.36513   112.64273  -119.89995
   85    67 S   CA   _C17    64     1.39539   120.95158   -75.21001
   86    85 S   CT   _C18    65     1.49329   120.93033     0.08623
   87    86 S   F    F1__    66     1.36562   113.54739  -179.97202
   88    86 S   F    F2__    67     1.36516   113.52970   -59.92510
   89    86 S   F    F3__    68     1.36374   112.54218    60.02875
  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   9   5   4   3
  15   7   2   1   1  13  10   5   8   4   4   1   6   3   7   3
   6   3  10   5   9   8   4   3   1   4   9   4   3   6   3   2
   1   1  12   5   8   4   4   3   2   1   1   9   3   8  10   3
   4   2   1   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    53    56    57    39    40    43    44    45    46    49  
   38    41    56    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    48    51    53    56    57    58    39    40    43    45  
   40    43    44    45    46    49    50    52    41    56  
   43    44    45    46    49  
   42    47    48    51    53    56    57    54  
   47    48    51    56  
   44    45    46    49  
   45  
   46    49    50    52    55    71  
   49    50    52  
   48    51    53    56    58    54    59  
   51    53    54  
   50    52    55    62    68    71  
   52    55    71  
   53    56    57    58    63    54    59    60    61    67  
   55    62    68    71    72  
   56    57    58    63    64    65    66    54    59  
   59    60    61    67    69    85    56    58  
   62    68    71    72  
   57    58    63  
   58  
   63    64    65    66  
   60    61    67    69    70    76    79    85    86  
   61    67    69    85  
   67    69    85  
   68    71    72    73    74    75  
   64    65    66  
   65    66  
   66  
    0  
   69    70    76    77    78    79    80    85    86    87    88    89  
   71    72    73    74    75  
   70    76    77    78    79    85    86    81  
   76    77    78    85  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    85    81    82    83    84  
   78    79    81  
   79    80    85    86    81    82    83    84  
   80    85    86    87    88    89    81    82    83    84  
   85    86    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.3000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.3000   0.0660   0.460000   2.0580   1.8250   0.025318638  -1.264311570
   44   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.428700   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.2800   0.1700  -0.312600   1.8650   1.6500   0.001000000  -0.511443539
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.181800   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2800   0.1700  -0.312600   1.8650   1.6500   0.001000000  -0.511443539
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.228700   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5600   0.3950  -0.062200   2.0080   1.7800   0.025682759  -1.666211680
   72   3.2500   0.0620   0.715000   2.4950   1.7500   0.005000000  -0.741685710
   73   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   74   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   75   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   83   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   84   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   85   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   88   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   89   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    53   469.000  1.400
   51    54   450.000  1.364
   53    56   469.000  1.400
   53    58   450.000  1.364
   56    57   367.000  1.080
   58    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   54    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   317.000  1.510
   67    69   469.000  1.400
   67    85   469.000  1.400
   69    70   367.000  1.080
   69    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   469.000  1.400
   78    81   317.000  1.510
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   317.000  1.510
   86    87   367.000  1.332
   86    88   367.000  1.332
   86    89   367.000  1.332
   81    82   367.000  1.332
   81    83   367.000  1.332
   81    84   367.000  1.332
   39    40   340.000  1.090
   39    43   390.000  1.470
   39    45   317.000  1.522
   43    44   650.000  1.157
   45    46   570.000  1.229
   45    49   490.000  1.335
   49    50   434.000  1.010
   49    52   360.000  1.404
   52    55   488.000  1.335
   52    71   250.000  1.765
   55    62   290.000  1.379
   62    68   488.000  1.335
   68    71   250.000  1.765
   68    72   295.000  1.488
   72    73   367.000  1.332
   72    74   367.000  1.332
   72    75   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    63.00000  120.00000
   38    56    53    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    47    48    35.00000  120.00000
   41    47    51    63.00000  120.00000
   47    41    42    35.00000  120.00000
   47    51    53    63.00000  120.00000
   47    51    54    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    53    56    63.00000  120.00000
   51    53    58    70.00000  120.00000
   51    54    59    75.00000  111.00000
   53    56    57    35.00000  120.00000
   53    58    63    75.00000  111.00000
   56    38    41    63.00000  120.00000
   58    53    56    70.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   54    51    53    70.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    67    85.00000  111.85700
   59    67    69    70.00000  120.00000
   59    67    85    70.00000  120.00000
   61    59    60    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    61    35.00000  109.50000
   67    69    70    35.00000  120.00000
   67    69    76    63.00000  120.00000
   67    85    79    63.00000  120.00000
   67    85    86    70.00000  120.00000
   69    76    77    35.00000  120.00000
   69    76    78    63.00000  120.00000
   76    69    70    35.00000  120.00000
   76    78    79    63.00000  120.00000
   76    78    81    70.00000  120.00000
   78    76    77    35.00000  120.00000
   78    79    80    35.00000  120.00000
   78    79    85    63.00000  120.00000
   78    81    82    50.00000  109.50000
   78    81    83    50.00000  109.50000
   78    81    84    50.00000  109.50000
   79    85    86    70.00000  120.00000
   85    67    69    63.00000  120.00000
   85    79    80    35.00000  120.00000
   85    86    87    50.00000  109.50000
   85    86    88    50.00000  109.50000
   85    86    89    50.00000  109.50000
   88    86    87    77.00000  109.10000
   89    86    87    77.00000  109.10000
   89    86    88    77.00000  109.10000
   81    78    79    70.00000  120.00000
   83    81    82    77.00000  109.10000
   84    81    82    77.00000  109.10000
   84    81    83    77.00000  109.10000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44   150.00000  180.00000
   39    45    46    80.00000  120.40000
   39    45    49    70.00000  116.60000
   43    39    40    35.00000  108.50000
   45    39    40    35.00000  109.50000
   45    39    43    70.00000  111.78000
   45    49    50    35.00000  119.80000
   45    49    52    65.00000  121.96500
   49    45    46    80.00000  122.90000
   49    52    55    70.00000  120.00000
   49    52    71    70.00000  123.00000
   52    49    50    45.00000  118.23600
   52    55    62   100.00000  108.10500
   52    71    68   125.00000   85.95600
   55    62    68   100.00000  108.10500
   62    68    71    80.00000  114.57700
   62    68    72    65.00000  125.57700
   68    72    73    85.00000  110.61800
   68    72    74    85.00000  110.61800
   68    72    75    85.00000  110.61800
   71    52    55    80.00000  114.57700
   72    68    71    65.00000  125.49400
   74    72    73    77.00000  109.10000
   75    72    73    77.00000  109.10000
   75    72    74    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   0.01700  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    47   3.62500 -1.0 2.0
   33    38    56    53   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   0.00000  1.0 1.0
   33    39    45    46   0.30150 -1.0 2.0
   33    39    45    49   1.39750  1.0 1.0
   33    39    45    49  -0.07950 -1.0 2.0
   33    39    45    49  -0.18750  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   34    33    39    45  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    45   0.56750  1.0 1.0
   38    33    39    45  -0.07550 -1.0 2.0
   38    33    39    45   0.20000  1.0 3.0
   38    41    47    48   3.62500 -1.0 2.0
   38    41    47    51   3.62500 -1.0 2.0
   41    38    56    53   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    47   -51    53   3.62500 -1.0 2.0
   41    47    51    54   3.62500 -1.0 2.0
   42    41    47    48   3.62500 -1.0 2.0
   42    41    47    51   3.62500 -1.0 2.0
   47    51    53    56   3.62500 -1.0 2.0
   47    51    53    58   3.62500 -1.0 2.0
   47    51    54    59   1.63200 -1.0 2.0
   48    47    51    53   3.62500 -1.0 2.0
   48    47    51    54   3.62500 -1.0 2.0
   51    53   -56    38   3.62500 -1.0 2.0
   51    53    56    57   3.62500 -1.0 2.0
   51    53    58    63   1.63200 -1.0 2.0
   51    54    59    60   0.08050  1.0 3.0
   51    54    59    61   0.08050  1.0 3.0
   51    54    59    67  -0.50150  1.0 1.0
   51    54    59    67  -0.23050 -1.0 2.0
   51    54    59    67   0.70600  1.0 3.0
   53    51    54    59   1.63200 -1.0 2.0
   53    58    63    64   0.08050  1.0 3.0
   53    58    63    65   0.08050  1.0 3.0
   53    58    63    66   0.08050  1.0 3.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    47   3.62500 -1.0 2.0
   56    53    58    63   1.63200 -1.0 2.0
   58    53    56    38   3.62500 -1.0 2.0
   58    53    56    57   3.62500 -1.0 2.0
   54    51    53    56   3.62500 -1.0 2.0
   54    51    53    58   3.62500 -1.0 2.0
   54    59    67    69   0.64500  1.0 1.0
   54    59    67    69   0.14800 -1.0 2.0
   54    59    67    69   0.20650  1.0 3.0
   54    59    67    85   0.64500  1.0 1.0
   54    59    67    85   0.14800 -1.0 2.0
   54    59    67    85   0.20650  1.0 3.0
   59    67    69    70   3.62500 -1.0 2.0
   59    67    69    76   3.62500 -1.0 2.0
   59    67    85    79   3.62500 -1.0 2.0
   59    67    85    86   3.62500 -1.0 2.0
   60    59    67    69   0.00000  1.0 1.0
   60    59    67    85   0.00000  1.0 1.0
   61    59    67    69   0.00000  1.0 1.0
   61    59    67    85   0.00000  1.0 1.0
   67    69    76    77   3.62500 -1.0 2.0
   67    69    76    78   3.62500 -1.0 2.0
   67    85    86    87   0.00000  1.0 1.0
   67    85    86    88   0.00000  1.0 1.0
   67    85    86    89   0.00000  1.0 1.0
   69    67    85    79   3.62500 -1.0 2.0
   69    67    85    86   3.62500 -1.0 2.0
   69    76   -78    79   3.62500 -1.0 2.0
   69    76    78    81   3.62500 -1.0 2.0
   70    69    76    77   3.62500 -1.0 2.0
   70    69    76    78   3.62500 -1.0 2.0
   76    78    79    80   3.62500 -1.0 2.0
   76    78    79    85   3.62500 -1.0 2.0
   76    78    81    82   0.00000  1.0 1.0
   76    78    81    83   0.00000  1.0 1.0
   76    78    81    84   0.00000  1.0 1.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    81   3.62500 -1.0 2.0
   78    79   -85    67   3.62500 -1.0 2.0
   78    79    85    86   3.62500 -1.0 2.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   79    78    81    84   0.00000  1.0 1.0
   79    85    86    87   0.00000  1.0 1.0
   79    85    86    88   0.00000  1.0 1.0
   79    85    86    89   0.00000  1.0 1.0
   80    79    85    67   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   85    67    69    70   3.62500 -1.0 2.0
   85    67   -69    76   3.62500 -1.0 2.0
   81    78    79    80   3.62500 -1.0 2.0
   81    78    79    85   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    56   0.04150 -1.0 2.0
   39    45    49    50   2.45000 -1.0 2.0
   39    45    49    52   0.76000  1.0 1.0
   39    45    49    52   4.11600 -1.0 2.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.00000  1.0 1.0
   43    39    45    46   0.30150 -1.0 2.0
   43    39    45    49   0.00000  1.0 1.0
   45    39    43    44   0.00000  1.0 1.0
   45    49    52    55   0.96250 -1.0 2.0
   45    49    52    71   0.96250 -1.0 2.0
   46    45    49    50   2.45000 -1.0 2.0
   46    45    49    52   0.04000 -1.0 2.0
   49    52    55    62   3.62500 -1.0 2.0
   49    52    71    68   3.62500 -1.0 2.0
   50    49    52    55   0.96250 -1.0 2.0
   50    49    52    71   0.96250 -1.0 2.0
   52    55   -62    68   3.62500 -1.0 2.0
   55    52   -71    68   3.62500 -1.0 2.0
   55    62   -68    71   3.62500 -1.0 2.0
   55    62    68    72   3.62500 -1.0 2.0
   62    68   -71    52   3.62500 -1.0 2.0
   62    68    72    73   0.21350  1.0 3.0
   62    68    72    74   0.21350  1.0 3.0
   62    68    72    75   0.21350  1.0 3.0
   71    52   -55    62   3.62500 -1.0 2.0
   71    68    72    73   0.04300 -1.0 2.0
   71    68    72    74   0.04300 -1.0 2.0
   71    68    72    75   0.04300 -1.0 2.0
   72    68    71    52   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    56    38    33   4.00000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   51    48    47    41   1.10000 -1.0 2.0
   53    54    51    47   4.00000 -1.0 2.0
   56    58    53    51   4.00000 -1.0 2.0
   53    57    56    38   1.10000 -1.0 2.0
   69    85    67    59   4.00000 -1.0 2.0
   76    70    69    67   1.10000 -1.0 2.0
   78    77    76    69   1.10000 -1.0 2.0
   79    81    78    76   4.00000 -1.0 2.0
   85    80    79    78   1.10000 -1.0 2.0
   79    86    85    67   4.00000 -1.0 2.0
   39    49    45    46  10.50000 -1.0 2.0
   50    45    49    52   1.00000 -1.0 2.0
   55    71    52    49   4.00000 -1.0 2.0
   72    71    68    62   4.00000 -1.0 2.0
END
