* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    148    209     413
    1     0 S   NP   _N1_     1    29.79090    94.29312   -25.77813
    2     1 S   H    _HN1     2     1.02829    31.50062  -154.72747
    3     1 S   H    _H1_     3     1.02792   125.61150   -91.19206
    4     1 S   H    _H2_     4     1.02949    76.41127    11.85664
    5     1 S   CT   _CA1     5     1.50120   116.29644   118.16534
    6     5 S   HC   _HA1     6     1.09575   105.17598    93.12135
    7     5 S   CO3  _C1_     7     1.53782   112.48764   -27.09202
    8     7 S   O2Z  _O11     8     1.26374   115.00548   -42.06155
    9     7 S   O2Z  _O12     9     1.26243   114.94754   137.03552
   10     5 S   CT   _CB1    10     1.53075   107.41807  -148.90333
   11    10 S   HC   HB11    11     1.09837   109.34175   -49.59590
   12    10 S   HC   HB12    12     1.09812   110.46296    67.00877
   13    10 S   CT   _CG1    13     1.53002   112.62044  -170.55823
   14    13 S   HC   HG11    14     1.09577   110.66553   -66.55565
   15    13 S   HC   HG12    15     1.09672   109.74414    52.67791
   16    13 S   C    _CD1    16     1.51806   112.16120   173.13087
   17    16 S   O    _OE1    17     1.22740   123.24218     8.89550
   18    16 S   N    _N2_    18     1.38649   111.71290  -171.04255
   19    18 S   H    _HN2    19     1.01563   118.95864     1.50714
   20    18 S   CT1  _CA2    20     1.46240   123.44962   177.25241
   21    20 S   HC   _HA2    21     1.09745   109.31770     6.77135
   22    20 S   C    _C2_    22     1.53667   108.69735  -108.70552
   23    22 S   O    _O2_    23     1.23073   122.32754  -147.68356
   24    20 S   CT   _CB2    32     1.53433   111.62271   128.78227
   25    24 S   HC   HB21    33     1.09473   109.73517    56.19926
   26    24 S   HC   HB22    34     1.09365   109.65438   174.95348
   27    22 S   N    _N3_    24     1.38341   113.80078    39.76838
   28    27 S   H    _HN3    25     1.01551   119.60889    -3.03680
   29    24 S   S    _SG2    35     1.82906   111.19225   -64.58996
   30    27 S   CT   _CA3    26     1.45284   123.24838   177.23983
   31    30 S   HC   HA31    27     1.09548   107.49076   -65.21175
   32    30 S   HC   HA32    28     1.09557   108.01666    51.24261
   33    29 S   CT   _C5_    36     1.84835   101.19263  -170.66108
   34    33 S   OM   _O33    37     1.31937   110.20781   177.31620
   35    30 S   CO3  _C3_    29     1.52969   114.06126   173.25381
   36    35 S   O2Z  _O31    30     1.26380   116.07553    -0.70025
   37    35 S   O2Z  _O32    31     1.26425   114.41835   179.36326
   38    33 S   CT   _C4_    38     1.54549   107.58504   -67.69053
   39    38 S   HC   _H3_    39     1.09643   111.59565    67.36527
   40    38 S   HC   _H4_    40     1.09821   113.28710   -55.28946
   41    38 S   HC   _H5_    41     1.10016   111.19514  -176.26089
   42    33 S   OS   _O34    42     1.44638   114.58128    48.04573
   43    42 S   CA   _C6_    43     1.36724   124.11752    60.84169
   44    43 S   CA   _C7_    44     1.39271   126.99837     8.23588
   45    44 S   HA   _H6_    45     1.08440   122.12834     0.50668
   46    44 S   CA   _C8_    46     1.40073   120.38994  -179.81233
   47    46 S   HA   _H7_    47     1.08831   118.25010   179.72876
   48    46 S   CA   _C9_    48     1.40220   121.13600     0.13270
   49    48 S   CA   _C10    49     1.40046   118.16764    -0.86275
   50    49 S   HA   _H8_    50     1.08746   121.03406  -178.57852
   51    48 S   CM   _C12    53     1.47619   120.10233  -179.44786
   52    43 S   CA   _C11    51     1.39848   114.25928  -172.20593
   53    52 S   HA   _H9_    52     1.08777   119.92927    -0.21214
   54    51 S   CM   _C13    54     1.33999   121.91919  -139.27541
   55    54 S   HC   _H10    55     1.08398   123.40380     0.10468
   56    54 S   CO4  _C14    56     1.47550   119.48433   179.44398
   57    56 S   O    _O35    57     1.22337   120.03048  -179.91377
   58    56 S   CA   _C15    58     1.47997   116.61650    -0.08847
   59    58 S   CA   _C16    59     1.39881   117.98812    -0.76515
   60    59 S   CA   _C17    60     1.40067   120.15710  -178.79455
   61    51 S   OS   _O36    84     1.38235   114.01044    39.61763
   62    60 S   CA   _C18    61     1.39677   120.24015    -1.77332
   63    60 S   OS   _O40    79     1.37255   119.78641  -178.41897
   64    62 S   CA   _C19    62     1.39704   119.71713     3.73413
   65    62 S   OS   _O39    74     1.37099   120.03439   180.00000
   66    63 S   CT   _C24    80     1.42818   110.15788   -92.22036
   67    66 S   HC   _H20    81     1.09404   107.79043   179.60091
   68    66 S   HC   _H21    82     1.09552   111.30573    61.33456
   69    66 S   HC   _H22    83     1.09539   111.28608   -62.12030
   70    58 S   CA   _C20    63     1.40439   122.41486   179.39574
   71    64 S   OS   _O38    69     1.37229   119.63496   178.20616
   72    65 S   CT   _C23    75     1.42790   110.07911    92.65812
   73    72 S   HC   _H17    76     1.09405   107.79837  -179.65736
   74    72 S   HC   _H18    77     1.09545   111.29079    62.06812
   75    72 S   HC   _H19    78     1.09550   111.27756   -61.38758
   76    70 S   OS   _O37    64     1.37174   120.77338     1.03287
   77    71 S   CT   _C22    70     1.42797   110.09133   -91.98807
   78    77 S   HC   _H14    71     1.09404   107.79236   179.89165
   79    77 S   HC   _H15    72     1.09548   111.27959    61.62541
   80    77 S   HC   _H16    73     1.09542   111.29833   -61.83511
   81    76 S   CT   _C21    65     1.42885   110.42583   -98.71230
   82    81 S   HC   _H11    66     1.09405   107.75079   172.76937
   83    81 S   HC   _H12    67     1.09581   111.54678    54.37613
   84    81 S   HC   _H13    68     1.09479   111.18417   -69.09152
  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   8   5   4   3
   9   6   2   1   1   5   3   2   1   7   9   8   4   8   3  10
   6   3   9   1   1   7   4   8   3  10   9  12   3  12   6  10
   6   3   2   1   1   7   5   3   2   1   1   4   3   2   1   1
   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    52  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    52    53  
   44    45    46    47    48    49    50    52    53  
   45    46    47    48    49    52    53    51  
   46    47    48    52  
   47    48    49    50    52    51    54    61  
   48    49    51  
   49    50    52    53    51    54    55    56    59    61  
   50    52    53    51    54    61  
   52    53    51  
   54    55    56    57    58    59    60    61    52  
   53  
    0  
   55    56    57    58    59    70    61  
   56    57    58    61  
   57    58    59    60    64    70    76    61  
   58    59    70  
   59    60    62    64    70    76    81    71    63    61  
   60    62    64    70    76    65    63    66    61  
   62    64    70    71    65    72    63    66    67    68    69    61  
   62    63    70  
   64    70    76    71    77    65    72    73    74    75    63    66  
   66    67    68    69    64    65  
   70    76    81    71    77    78    79    80    65    72  
   72    73    74    75    70    71  
   67    68    69  
   68    69  
   69  
    0  
   76    81    82    83    84    71    77  
   77    78    79    80    76  
   73    74    75  
   74    75  
   75  
    0  
   81    82    83    84  
   78    79    80  
   79    80  
   80  
    0  
   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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   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    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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    52   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    51   320.000  1.460
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    53   367.000  1.080
   51    54   549.000  1.340
   51    61   440.000  1.360
   54    55   340.000  1.080
   54    56   320.000  1.462
   56    57   570.000  1.229
   56    58   310.000  1.470
   58    59   469.000  1.400
   58    70   469.000  1.400
   59    60   469.000  1.400
   59    61   450.000  1.364
   60    62   469.000  1.400
   60    63   450.000  1.364
   62    64   469.000  1.400
   62    65   450.000  1.364
   64    70   469.000  1.400
   64    71   450.000  1.364
   70    76   450.000  1.364
   76    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   71    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   65    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   63    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    52    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    52    49    63.00000  120.00000
   43    52    53    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    51    60.00000  118.70000
   48    46    47    35.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    52    63.00000  120.00000
   48    51    54    60.00000  123.66000
   48    51    61    65.00000  119.00000
   49    52    53    35.00000  120.00000
   52    43    44    63.00000  120.00000
   52    49    50    35.00000  120.00000
   51    48    49    60.00000  118.70000
   51    54    55    35.00000  120.00000
   51    54    56    65.00000  118.96000
   51    61    59    90.00000  114.30300
   54    56    57    80.00000  123.72100
   54    56    58    65.00000  117.02400
   56    54    55    40.00000  117.72500
   56    58    59    60.00000  119.52600
   56    58    70    60.00000  119.52600
   58    56    57    75.00000  123.78400
   58    59    60    63.00000  120.00000
   58    59    61    70.00000  120.00000
   58    70    64    63.00000  120.00000
   58    70    76    70.00000  120.00000
   59    60    62    63.00000  120.00000
   59    60    63    70.00000  120.00000
   60    62    64    63.00000  120.00000
   60    62    65    70.00000  120.00000
   60    63    66    75.00000  111.00000
   62    64    70    63.00000  120.00000
   62    64    71    70.00000  120.00000
   62    65    72    75.00000  111.00000
   64    70    76    70.00000  120.00000
   64    71    77    75.00000  111.00000
   70    58    59    63.00000  120.00000
   70    76    81    75.00000  111.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   71    64    70    70.00000  120.00000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   65    62    64    70.00000  120.00000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   63    60    62    70.00000  120.00000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   61    51    54    80.00000  120.01400
   61    59    60    70.00000  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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  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    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    52   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    52    49   3.62500 -1.0 2.0
   42    43    52    53   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    52    49   3.62500 -1.0 2.0
   44    43    52    53   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    51   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    51    54   0.15800  1.0 1.0
   46    48    51    54   1.85350 -1.0 2.0
   46    48    51    54  -0.48700  1.0 3.0
   46    48    51    61  -0.01750  1.0 1.0
   46    48    51    61  -0.32000 -1.0 2.0
   46    48    51    61   0.00600  1.0 3.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    51   3.62500 -1.0 2.0
   48    49   -52    43   3.62500 -1.0 2.0
   48    49    52    53   3.62500 -1.0 2.0
   48    51    54    55   7.00000 -1.0 2.0
   48    51    54    56   7.00000 -1.0 2.0
   48    51    61    59   2.00000 -1.0 2.0
   49    48    51    54   0.15800  1.0 1.0
   49    48    51    54   1.85350 -1.0 2.0
   49    48    51    54  -0.48700  1.0 3.0
   49    48    51    61  -0.01750  1.0 1.0
   49    48    51    61  -0.32000 -1.0 2.0
   49    48    51    61   0.00600  1.0 3.0
   50    49    52    43   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   52    43    44    45   3.62500 -1.0 2.0
   52    43   -44    46   3.62500 -1.0 2.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    52   3.62500 -1.0 2.0
   51    54    56    57   1.00000 -1.0 2.0
   51    54    56    58  -1.65800  1.0 1.0
   51    54    56    58   0.77650 -1.0 2.0
   54    51    61    59   2.00000 -1.0 2.0
   54    56   -58    59  -0.11500  1.0 1.0
   54    56   -58    59   1.10450 -1.0 2.0
   54    56   -58    59  -0.48050  1.0 3.0
   54    56    58    70  -0.11500  1.0 1.0
   54    56    58    70   1.10450 -1.0 2.0
   54    56    58    70  -0.48050  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   1.64500 -1.0 2.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58    59    61   3.62500 -1.0 2.0
   56    58    70    64   3.62500 -1.0 2.0
   56    58    70    76   3.62500 -1.0 2.0
   57    56    58    59   1.05000 -1.0 2.0
   57    56    58    70   1.05000 -1.0 2.0
   58    59    60    62   3.62500 -1.0 2.0
   58    59    60    63   3.62500 -1.0 2.0
   58    59   -61    51   0.00000  1.0 1.0
   58    70    76    81   1.63200 -1.0 2.0
   59    58    70    64   3.62500 -1.0 2.0
   59    58    70    76   3.62500 -1.0 2.0
   59    60   -62    64   3.62500 -1.0 2.0
   59    60    62    65   3.62500 -1.0 2.0
   59    60    63    66   1.63200 -1.0 2.0
   60    59    61    51   0.00000  1.0 1.0
   60    62    64    70   3.62500 -1.0 2.0
   60    62    64    71   3.62500 -1.0 2.0
   60    62    65    72   1.63200 -1.0 2.0
   60    63    66    67   0.08050  1.0 3.0
   60    63    66    68   0.08050  1.0 3.0
   60    63    66    69   0.08050  1.0 3.0
   62    60    63    66   1.63200 -1.0 2.0
   62    64   -70    58   3.62500 -1.0 2.0
   62    64    70    76   3.62500 -1.0 2.0
   62    64    71    77   1.63200 -1.0 2.0
   62    65    72    73   0.08050  1.0 3.0
   62    65    72    74   0.08050  1.0 3.0
   62    65    72    75   0.08050  1.0 3.0
   64    62    65    72   1.63200 -1.0 2.0
   64    70    76    81   1.63200 -1.0 2.0
   64    71    77    78   0.08050  1.0 3.0
   64    71    77    79   0.08050  1.0 3.0
   64    71    77    80   0.08050  1.0 3.0
   70    58   -59    60   3.62500 -1.0 2.0
   70    58    59    61   3.62500 -1.0 2.0
   70    64    71    77   1.63200 -1.0 2.0
   70    76    81    82   0.08050  1.0 3.0
   70    76    81    83   0.08050  1.0 3.0
   70    76    81    84   0.08050  1.0 3.0
   71    64    70    58   3.62500 -1.0 2.0
   71    64    70    76   3.62500 -1.0 2.0
   65    62    64    70   3.62500 -1.0 2.0
   65    62    64    71   3.62500 -1.0 2.0
   63    60    62    64   3.62500 -1.0 2.0
   63    60    62    65   3.62500 -1.0 2.0
   61    51    54    55   7.00000 -1.0 2.0
   61    51   -54    56   7.00000 -1.0 2.0
   61    59    60    62   3.62500 -1.0 2.0
   61    59    60    63   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
   44    52    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    51    48    46   4.00000 -1.0 2.0
   52    50    49    48   1.10000 -1.0 2.0
   49    53    52    43   1.10000 -1.0 2.0
   48    61    51    54   1.10000 -1.0 2.0
   56    55    54    51   1.10000 -1.0 2.0
   54    58    56    57  10.50000 -1.0 2.0
   59    70    58    56   4.00000 -1.0 2.0
   60    61    59    58   4.00000 -1.0 2.0
   62    63    60    59   4.00000 -1.0 2.0
   64    65    62    60   4.00000 -1.0 2.0
   70    71    64    62   4.00000 -1.0 2.0
   64    76    70    58   4.00000 -1.0 2.0
END
