* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    141    217     400
    1     0 S   NP   _N1_     1    28.87825    94.64113   -17.58114
    2     1 S   H    _HN1     2     1.03102   102.76038    31.72321
    3     1 S   H    _H1_     3     1.02816    43.19690   133.05209
    4     1 S   H    _H2_     4     1.02770    68.53261   -72.72460
    5     1 S   CT   _CA1     5     1.50016   143.56321  -171.42604
    6     5 S   HC   _HA1     6     1.09565   105.28230    22.80887
    7     5 S   CO3  _C1_     7     1.53843   112.17678   -97.58176
    8     7 S   O2Z  _O11     8     1.26353   115.14620   -51.90984
    9     7 S   O2Z  _O12     9     1.26236   114.85144   127.21666
   10     5 S   CT   _CB1    10     1.52966   107.45865   140.71963
   11    10 S   HC   HB11    11     1.09803   109.71409   -48.48105
   12    10 S   HC   HB12    12     1.09660   110.21397    68.31714
   13    10 S   CT   _CG1    13     1.52933   112.80310  -169.87684
   14    13 S   HC   HG11    14     1.09549   110.35211   -55.84547
   15    13 S   HC   HG12    15     1.09592   110.33214    63.35503
   16    13 S   C    _CD1    16     1.51812   111.50155  -176.58746
   17    16 S   O    _OE1    17     1.22764   123.00843   -18.81311
   18    16 S   N    _N2_    18     1.38514   111.89681   161.94863
   19    18 S   H    _HN2    19     1.01567   119.11233     2.34343
   20    18 S   CT1  _CA2    20     1.46285   123.34487  -175.48668
   21    20 S   HC   _HA2    21     1.09726   109.50822   -12.96179
   22    20 S   C    _C2_    22     1.53343   108.26251  -128.85435
   23    22 S   O    _O2_    23     1.23002   122.34168  -144.58061
   24    20 S   CT   _CB2    32     1.53556   110.91647   109.04757
   25    24 S   HC   HB21    33     1.09278   108.95010    56.39862
   26    24 S   HC   HB22    34     1.09510   110.54348   174.51609
   27    22 S   N    _N3_    24     1.38542   113.28392    42.73933
   28    27 S   H    _HN3    25     1.01529   118.88908    -0.51282
   29    24 S   S    _SG2    35     1.82981   111.16842   -66.44966
   30    27 S   CT   _CA3    26     1.45442   123.38889   175.04259
   31    30 S   HC   HA31    27     1.09529   109.13737    26.11098
   32    30 S   HC   HA32    28     1.09492   107.14080   143.11233
   33    29 S   CT   _C18    36     1.88863   102.93306   149.23752
   34    30 S   CO3  _C3_    29     1.52941   113.21388   -97.28848
   35    34 S   O2Z  _O31    30     1.26394   115.45828   -42.90373
   36    34 S   O2Z  _O32    31     1.26364   114.94225   138.03556
   37    33 S   CM   _C13    37     1.54868   105.36531   169.48513
   38    33 S   CT   _C19    71     1.54978   109.51060    49.84765
   39    38 S   HC   _H14    72     1.09672   111.91286    56.91378
   40    38 S   HC   _H15    73     1.09555   110.95254   -64.00017
   41    37 S   N4   _N6_    38     1.36329   119.24543    93.81102
   42    37 S   CMA  _C14    68     1.53091   120.76271   -78.88205
   43    42 S   OM   _O5_    69     1.26380   119.80492  -104.88365
   44    42 S   OM   _O6_    70     1.26275   121.53790    75.77367
   45    38 S   OS   _O8_    74     1.44321   109.63240   178.04766
   46    41 S   C4   _C5_    39     1.35193   137.10993  -161.15222
   47    46 S   O    _O1_    40     1.20868   134.39315    -0.63520
   48    41 S   C4T  _C17    43     1.44974   125.66295    29.46988
   49    48 S   HC   _H13    44     1.09803   111.93383    73.25432
   50    45 S   CO4  _C15    75     1.36021   116.00129  -178.62784
   51    50 S   O    _O7_    76     1.22529   125.66599    -2.88269
   52    46 S   C4T  _C4_    41     1.56754    89.50346   175.60742
   53    52 S   HC   _H4_    42     1.09553   113.47911   125.50398
   54    48 S   S    _S1_    45     1.80389   110.59482   -54.26842
   55    50 S   N    _N7_    77     1.36870   110.13960   177.41760
   56    55 S   H    _H16    78     1.01281   121.08536  -179.59362
   57    55 S   H    _H17    79     1.01325   120.76400    -1.56110
   58    33 S   CT   _C16    46     1.55884   108.41714   -68.85597
   59    58 S   HC   _H11    47     1.09346   112.21526    54.51268
   60    58 S   HC   _H12    48     1.09690   110.23149   171.96066
   61    52 S   N    _N4_    49     1.47947   114.28118  -105.42079
   62    61 S   H    _H3_    50     1.02037   119.45290   115.67442
   63    61 S   C    _C11    51     1.37960   122.33917   -63.37953
   64    63 S   O    _O33    52     1.22113   128.33024    -4.77438
   65    63 S   CD   _C10    53     1.50423   113.31706   174.49968
   66    65 S   C5A  _C9_    54     1.44320   114.99668   -81.09205
   67    65 S   NI   _N5_    62     1.29723   114.95949    99.31852
   68    66 S   C5BC _C7_    55     1.38568   131.36222    -1.48583
   69    68 S   HA   _H6_    56     1.08194   126.44421    -0.48578
   70    67 S   OS   _O4_    63     1.39740   112.98613   179.30592
   71    68 S   C5BC _C6_    57     1.41492   107.04837   179.12084
   72    71 S   HA   _H5_    58     1.08050   127.54088  -179.63150
   73    70 S   CT   _C12    64     1.41995   108.10736  -178.89819
   74    73 S   HC   _H8_    65     1.09314   108.43171   180.00000
   75    73 S   HC   _H9_    66     1.09439   110.37242    60.94687
   76    73 S   HC   _H10    67     1.09449   110.29744   -61.07035
   77    71 S   C5A  _C8_    59     1.37240   105.99044     0.20077
   78    77 S   HA   _H7_    60     1.08017   133.76714  -180.00000
   79    66 S   OA   _O3_    61     1.36881   119.81842   177.54075
  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  17  12   4   3  12   5   1   1   6   9   4  10
   5   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    58    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    58    59    60    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    54    58    59    60    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    52    48    49    54    58    59    60    42    43    44    38    39    40    45  
   39    40    45    50    51    55    41    42    54    58    59    60  
   40    45    50    58  
   45    50    58  
   46    47    52    53    48    49    54    58    61    42    43    44  
   43    44    46    48    58  
   44  
    0  
   50    51    55    56    57    58  
   47    52    53    48    49    54    61    62    63  
   52    53    48    61  
   49    54    58    59    60    61    62    63    52    53  
   54    58    61    52    53  
   51    55    56    57  
   55    56    57  
   53    54    58    61    62    63    64    65  
   54    61    62    63  
   58    59    60    61  
   56    57  
   57  
    0  
   59    60  
   60  
    0  
   62    63    64    65    66    67  
   63    64    65  
   64    65    66    68    79    67    70  
   65    66    67  
   66    68    69    71    77    79    67    70    73  
   68    69    71    72    77    78    79    67    70  
   70    73    74    75    76    68    79  
   69    71    72    77    78    79  
   71    72    77    79  
   73    74    75    76  
   72    77    78    79  
   77    78    79  
   74    75    76  
   75    76  
   76  
    0  
   78    79  
   79  
    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   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   57   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   58   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0700   0.123000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   68   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   79   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    58   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    53   340.000  1.090
   52    48   268.000  1.529
   52    61   337.000  1.449
   48    49   340.000  1.090
   48    54   200.000  1.824
   54    58   222.000  1.810
   58    59   340.000  1.090
   58    60   340.000  1.090
   61    62   434.000  1.010
   61    63   490.000  1.335
   63    64   570.000  1.229
   63    65   270.000  1.486
   65    66   340.000  1.446
   65    67   500.000  1.261
   66    68   546.000  1.367
   66    79   340.000  1.360
   68    69   367.000  1.080
   68    71   469.000  1.424
   71    72   367.000  1.080
   71    77   546.000  1.367
   77    78   367.000  1.080
   77    79   340.000  1.360
   67    70   320.000  1.394
   70    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   320.000  1.410
   45    50   214.000  1.327
   50    51   570.000  1.229
   50    55   435.000  1.380
   55    56   434.000  1.010
   55    57   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    58    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    58    54    75.00000  111.63000
   33    58    59    37.50000  110.70000
   33    58    60    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    50.00000  109.50000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    54    80.00000  108.62000
   46    52    53    40.00000  113.37500
   46    52    48   100.00000   86.36000
   46    52    61    75.00000  110.24000
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    54    65.00000  119.05700
   52    61    62    38.00000  118.40000
   52    61    63    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    52    53    37.50000  110.70000
   48    54    58    85.00000   99.86700
   54    48    49    45.00000  109.41400
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   58    33    37    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    52    53    50.00000  112.01000
   61    52    48    80.00000  110.05700
   61    63    64    80.00000  122.90000
   61    63    65    75.00000  109.57000
   63    61    62    35.00000  119.80000
   63    65    66    75.00000  114.44000
   63    65    67    65.00000  123.79500
   65    63    64    80.00000  120.45000
   65    66    68    50.00000  135.19500
   65    66    79    85.00000  115.13500
   65    67    70   100.00000  109.52600
   66    68    69    35.00000  125.70000
   66    68    71    70.00000  107.30000
   66    79    77    70.00000  106.50000
   68    71    72    35.00000  127.50000
   68    71    77    70.00000  107.30000
   71    68    69    35.00000  127.50000
   71    77    78    35.00000  132.10000
   71    77    79    70.00000  110.60000
   77    71    72    35.00000  125.70000
   79    66    68    70.00000  110.60000
   79    77    78    35.00000  113.40000
   67    65    66    70.00000  124.86800
   67    70    73   110.00000  106.71400
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    58    58.35000  112.70000
   38    45    50    83.00000  116.90000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    51    83.00000  123.40000
   45    50    55   110.00000  108.75700
   50    55    56    50.00000  116.34900
   50    55    57    50.00000  116.34900
   55    50    51    85.00000  125.96000
   57    55    56    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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    58    54   0.56750  1.0 1.0
   29    33    58    54  -0.07550 -1.0 2.0
   29    33    58    54   0.20000  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    60   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50  -0.25900  1.0 1.0
   33    38    45    50  -0.47000 -1.0 2.0
   33    38    45    50   0.11750  1.0 3.0
   37    33    58    54   0.56750  1.0 1.0
   37    33    58    54  -0.07550 -1.0 2.0
   37    33    58    54   0.20000  1.0 3.0
   37    33    58    59   0.15000  1.0 3.0
   37    33    58    60   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.61850  1.0 1.0
   37    33    38    45  -0.22750 -1.0 2.0
   37    33    38    45   0.15300  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    52    53   0.00000  1.0 1.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    61   0.00000  1.0 1.0
   41    48    54    58   0.01700  1.0 1.0
   41    48    54    58  -0.23550 -1.0 2.0
   41    48    54    58   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    54   0.00000  1.0 1.0
   46    52    61    62   0.00000  1.0 1.0
   46    52    61    63  -0.42300  1.0 1.0
   46    52    61    63  -0.07000 -1.0 2.0
   46    52    61    63   0.04150  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    61   0.30150 -1.0 2.0
   52    48    54    58   0.25150  1.0 1.0
   52    48    54    58  -1.17200 -1.0 2.0
   52    48    54    58   0.53050  1.0 3.0
   52    61    63    64   3.04450 -1.0 2.0
   52    61    63    65   1.49850  1.0 1.0
   52    61    63    65   1.53950 -1.0 2.0
   53    52   -48    41   0.15000  1.0 3.0
   53    52    48    49   0.15000  1.0 3.0
   53    52    48    54   0.00000  1.0 1.0
   53    52    61    62   0.00000  1.0 1.0
   53    52    61    63   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    61    62   0.00000  1.0 1.0
   48    52    61    63  -0.43950  1.0 1.0
   48    52    61    63  -0.08100 -1.0 2.0
   48    52    61    63   0.03350  1.0 3.0
   48    54   -58    33  -0.25000 -1.0 2.0
   48    54   -58    33  -0.01800  1.0 3.0
   48    54    58    59   0.32350  1.0 3.0
   48    54    58    60   0.32350  1.0 3.0
   49    48    54    58   0.00000  1.0 1.0
   58    33   -37    41  -0.93550  1.0 1.0
   58    33   -37    41   0.38900 -1.0 2.0
   58    33   -37    41   0.16950  1.0 3.0
   58    33    37    42   0.09850  1.0 1.0
   58    33    37    42   0.15250 -1.0 2.0
   58    33    37    42  -0.50650  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.15000  1.0 3.0
   58    33    38    45   0.62750  1.0 1.0
   58    33    38    45  -0.30950 -1.0 2.0
   58    33    38    45   0.27300  1.0 3.0
   61    52   -48    41   2.20050  1.0 1.0
   61    52   -48    41   0.63450 -1.0 2.0
   61    52   -48    41  -0.91300  1.0 3.0
   61    52    48    49   0.15000  1.0 3.0
   61    52    48    54   0.00000  1.0 1.0
   61    63    65    66   1.50000 -1.0 2.0
   61    63    65    67   1.50000 -1.0 2.0
   62    61    63    64   2.45000 -1.0 2.0
   62    61    63    65   2.56700 -1.0 2.0
   63    65    66    68   0.30050 -1.0 2.0
   63    65    66    68   0.16600  1.0 3.0
   63    65    66    79   0.30050 -1.0 2.0
   63    65    66    79   0.16600  1.0 3.0
   63    65    67    70   6.00000 -1.0 2.0
   64    63    65    66   1.00000 -1.0 2.0
   64    63    65    67   1.00000 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    71   3.62500 -1.0 2.0
   65    66    79    77   3.62500 -1.0 2.0
   65    67    70    73   1.50000 -1.0 2.0
   66    65    67    70   6.00000 -1.0 2.0
   66    68    71    72   3.62500 -1.0 2.0
   66    68   -71    77   3.62500 -1.0 2.0
   68    66   -79    77   3.62500 -1.0 2.0
   68    71    77    78   3.62500 -1.0 2.0
   68    71   -77    79   3.62500 -1.0 2.0
   69    68    71    72   3.62500 -1.0 2.0
   69    68    71    77   3.62500 -1.0 2.0
   71    77   -79    66   3.62500 -1.0 2.0
   72    71    77    78   3.62500 -1.0 2.0
   72    71    77    79   3.62500 -1.0 2.0
   78    77    79    66   3.62500 -1.0 2.0
   79    66    68    69   3.62500 -1.0 2.0
   79    66   -68    71   3.62500 -1.0 2.0
   67    65    66    68   1.02250 -1.0 2.0
   67    65    66    79   1.02250 -1.0 2.0
   67    70    73    74   0.37500  1.0 3.0
   67    70    73    75   0.37500  1.0 3.0
   67    70    73    76   0.37500  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    58    54   0.44750  1.0 1.0
   38    33    58    54  -0.17800 -1.0 2.0
   38    33    58    54   0.20200  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    60   0.15000  1.0 3.0
   38    45    50    51   3.00000 -1.0 2.0
   38    45    50    55  -0.80800  1.0 1.0
   38    45    50    55   2.06850 -1.0 2.0
   39    38    45    50   0.08050  1.0 3.0
   40    38    45    50   0.08050  1.0 3.0
   45    50    55    56   2.56700 -1.0 2.0
   45    50    55    57   2.56700 -1.0 2.0
   51    50    55    56   2.45000 -1.0 2.0
   51    50    55    57   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
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   62    63    61    52   1.00000 -1.0 2.0
   61    65    63    64  10.50000 -1.0 2.0
   63    66    65    67  10.50000 -1.0 2.0
   68    79    66    65   4.00000 -1.0 2.0
   71    69    68    66   1.10000 -1.0 2.0
   77    72    71    68   1.10000 -1.0 2.0
   79    78    77    71   1.10000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   45    55    50    51  10.50000 -1.0 2.0
   57    50    55    56   1.00000 -1.0 2.0
END
