* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    144    223     411
    1     0 S   NP   _N1_     1    29.47346   100.78112   -18.45784
    2     1 S   H    _HN1     2     1.02958    52.05389    11.46922
    3     1 S   H    _H1_     3     1.02837    72.66142   140.76306
    4     1 S   H    _H2_     4     1.02778    83.27686  -108.09301
    5     1 S   CT   _CA1     5     1.50116   160.88475    37.31480
    6     5 S   HC   _HA1     6     1.09574   105.23990   156.08211
    7     5 S   CO3  _C1_     7     1.53805   112.33459    35.85581
    8     7 S   O2Z  _O11     8     1.26364   115.01386   -45.02746
    9     7 S   O2Z  _O12     9     1.26236   114.92864   134.12808
   10     5 S   CT   _CB1    10     1.53102   107.42678   -86.01208
   11    10 S   HC   HB11    11     1.09824   109.38504   -50.68183
   12    10 S   HC   HB12    12     1.09817   110.40906    65.88507
   13    10 S   CT   _CG1    13     1.53003   112.63447  -171.76508
   14    13 S   HC   HG11    14     1.09600   110.44485   -62.98575
   15    13 S   HC   HG12    15     1.09650   109.97493    56.19901
   16    13 S   C    _CD1    16     1.51833   112.34171   176.58740
   17    16 S   O    _OE1    17     1.22737   123.29974    -2.52569
   18    16 S   N    _N2_    18     1.38536   111.64139   177.43685
   19    18 S   H    _HN2    19     1.01560   118.96855     5.23259
   20    18 S   CT1  _CA2    20     1.45896   123.03630   178.73082
   21    20 S   HC   _HA2    21     1.09709   109.08752    20.38032
   22    20 S   C    _C2_    22     1.52822   106.71562   -96.93051
   23    22 S   O    _O2_    23     1.23002   122.86912   -30.36643
   24    20 S   CT   _CB2    32     1.53305   111.96248   143.53579
   25    24 S   HC   HB21    33     1.09354   109.54451    55.50524
   26    24 S   HC   HB22    34     1.09470   109.83573   174.16467
   27    22 S   N    _N3_    24     1.38451   112.71545   152.40627
   28    27 S   H    _HN3    25     1.01664   120.43063    -1.54256
   29    24 S   S    _SG2    35     1.82812   110.50239   -66.20060
   30    27 S   CT   _CA3    26     1.45367   122.37650   178.70095
   31    30 S   HC   HA31    27     1.09568   107.54151   -61.70699
   32    30 S   HC   HA32    28     1.09571   107.84937    54.58944
   33    29 S   CT   _C15    36     1.87721   102.83403   165.15338
   34    30 S   CO3  _C3_    29     1.52876   114.43354   176.54793
   35    34 S   O2Z  _O31    30     1.26317   116.09652    -1.00288
   36    34 S   O2Z  _O32    31     1.26453   114.38848   179.06142
   37    33 S   CT   _C13    37     1.56022   106.78468   -71.78797
   38    37 S   HC   _H8_    38     1.09595   111.24124   -53.87415
   39    37 S   HC   _H9_    39     1.09464   111.28148    64.92462
   40    33 S   CT   _C17    72     1.55771   105.20122   170.04456
   41    40 S   HC   _H14    73     1.09546   111.84571   -52.84471
   42    40 S   HC   _H15    74     1.09498   110.99667  -172.89759
   43    37 S   S    _S1_    40     1.83119   114.48883  -174.75454
   44    40 S   OS   _O5_    75     1.44393   110.49469    67.61749
   45    43 S   C4T  _C14    41     1.83100    96.94560   -56.60064
   46    45 S   HC   _H10    42     1.09418   115.03819   -82.14353
   47    44 S   CO4  _C12    76     1.36054   116.16626   177.73722
   48    47 S   O    _O3_    77     1.22500   125.62838    -0.35166
   49    45 S   C4T  _C4_    43     1.55583   112.19102   141.44924
   50    49 S   HC   _H4_    44     1.09584   116.84915     8.83020
   51    45 S   N4   _N7_    47     1.45819   110.10668    46.52646
   52    47 S   N    _N6_    78     1.36872   110.16502   179.69290
   53    52 S   H    _H16    79     1.01312   121.04109  -179.92867
   54    52 S   H    _H17    80     1.01333   120.99514    -0.18975
   55    49 S   C4   _C5_    45     1.54957    85.05627  -104.13747
   56    55 S   O    _O1_    46     1.20897   135.96068   172.23444
   57    33 S   CT1  _C18    48     1.55769   111.94908    48.05410
   58    57 S   HC   _H18    49     1.09966   106.68610   -62.34414
   59    49 S   N    _N4_    53     1.47846   114.74770   141.78316
   60    59 S   H    _H3_    54     1.01762   119.65233   107.12536
   61    57 S   CO3  _C19    50     1.54846   121.89975    55.65901
   62    61 S   O2Z  _O7_    51     1.26671   114.27484  -164.03791
   63    61 S   O2Z  _O8_    52     1.25993   116.73726    15.50541
   64    59 S   C    _C11    55     1.37912   122.11416   -73.34238
   65    64 S   O    _O33    56     1.22078   128.11219    -0.40974
   66    64 S   CD   _C10    57     1.50521   112.99448   179.25035
   67    66 S   C5A  _C9_    58     1.44238   115.04104   -96.76163
   68    66 S   NI   _N5_    66     1.29715   114.76609    83.04487
   69    67 S   C5BC _C7_    59     1.38545   131.37120     0.26980
   70    69 S   HA   _H6_    60     1.08130   126.35210    -0.18345
   71    68 S   OS   _O6_    67     1.39767   112.80766  -179.79633
   72    69 S   C5BC _C6_    61     1.41518   107.05822   179.83568
   73    72 S   HA   _H5_    62     1.08042   127.64667   180.00000
   74    71 S   CT   _C16    68     1.41950   108.24133  -179.80317
   75    74 S   HC   _H11    69     1.09318   108.46983  -180.00000
   76    74 S   HC   _H12    70     1.09445   110.34909    60.99529
   77    74 S   HC   _H13    71     1.09446   110.34733   -60.97700
   78    72 S   C5A  _C8_    63     1.37248   105.96793    -0.00000
   79    78 S   HA   _H7_    64     1.08029   133.84217   179.98022
   80    67 S   OA   _O4_    65     1.36813   119.83486  -179.92598
  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  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   6  12   6   4   3
  10   6   8   2   1   1   7   2   4   3   6   3   2   1   1   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    57    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    57    58    61    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    55    51    57    58    61    62    63    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    57    58    61    40    41    42    44  
   39    43    45    57    40  
   43    45    57    40  
   41    42    44    47    48    52    43    51    57    58    61  
   42    44    47    57  
   44    47    57  
   45    46    49    50    55    51    57    59  
   47    48    52    53    54    57  
   46    49    50    55    56    51    57    58    61    59    60    64  
   49    50    55    51    57    59  
   48    52    53    54  
   52    53    54  
   50    55    56    51    57    59    60    64    65    66  
   55    56    51    59    60    64  
   57    58    61    62    63    59    55    56  
   53    54  
   54  
    0  
   56    57    58    61    59    60    64  
   57    59  
   58    61    62    63  
   61    62    63  
   60    64    65    66    67    68  
   64    65    66  
   62    63  
   63  
    0  
   65    66    67    69    80    68    71  
   66    67    68  
   67    69    70    72    78    80    68    71    74  
   69    70    72    73    78    79    80    68    71  
   71    74    75    76    77    69    80  
   70    72    73    78    79    80  
   72    73    78    80  
   74    75    76    77  
   73    78    79    80  
   78    79    80  
   75    76    77  
   76    77  
   77  
    0  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   54   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   55   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0700   0.123000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   69   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   71   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    57   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    55   250.000  1.540
   49    59   337.000  1.449
   55    56   930.000  1.212
   55    51   440.000  1.369
   51    57   337.000  1.449
   57    58   340.000  1.090
   57    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   59    60   434.000  1.010
   59    64   490.000  1.335
   64    65   570.000  1.229
   64    66   270.000  1.486
   66    67   340.000  1.446
   66    68   500.000  1.261
   67    69   546.000  1.367
   67    80   340.000  1.360
   69    70   367.000  1.080
   69    72   469.000  1.424
   72    73   367.000  1.080
   72    78   546.000  1.367
   78    79   367.000  1.080
   78    80   340.000  1.360
   68    71   320.000  1.394
   71    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   320.000  1.410
   44    47   214.000  1.327
   47    48   570.000  1.229
   47    52   435.000  1.380
   52    53   434.000  1.010
   52    54   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  111.63000
   29    33    57    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    57    51    80.00000  109.70000
   33    57    58    37.50000  110.70000
   33    57    61    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    55   100.00000   86.36000
   45    49    59    80.00000  110.05700
   45    51    55   100.00000   93.00000
   45    51    57    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    55    56    60.00000  136.58000
   49    55    51    95.00000   92.72400
   49    59    60    38.00000  118.40000
   49    59    64    50.00000  121.90000
   55    49    50    40.00000  113.37500
   55    51    57    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    55    56    75.00000  131.60000
   51    57    58    35.00000  109.50000
   51    57    61    63.00000  110.10000
   57    33    37    58.35000  112.70000
   57    61    62    70.00000  117.00000
   57    61    63    70.00000  117.00000
   61    57    58    35.00000  109.50000
   63    61    62    80.00000  126.00000
   59    49    50    50.00000  112.01000
   59    49    55    75.00000  110.24000
   59    64    65    80.00000  122.90000
   59    64    66    75.00000  109.57000
   64    59    60    35.00000  119.80000
   64    66    67    75.00000  114.44000
   64    66    68    65.00000  123.79500
   66    64    65    80.00000  120.45000
   66    67    69    50.00000  135.19500
   66    67    80    85.00000  115.13500
   66    68    71   100.00000  109.52600
   67    69    70    35.00000  125.70000
   67    69    72    70.00000  107.30000
   67    80    78    70.00000  106.50000
   69    72    73    35.00000  127.50000
   69    72    78    70.00000  107.30000
   72    69    70    35.00000  127.50000
   72    78    79    35.00000  132.10000
   72    78    80    70.00000  110.60000
   78    72    73    35.00000  125.70000
   80    67    69    70.00000  110.60000
   80    78    79    35.00000  113.40000
   68    66    67    70.00000  124.86800
   68    71    74   110.00000  106.71400
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    57    58.35000  112.70000
   40    44    47    83.00000  116.90000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    48    83.00000  123.40000
   44    47    52   110.00000  108.75700
   47    52    53    50.00000  116.34900
   47    52    54    50.00000  116.34900
   52    47    48    85.00000  125.96000
   54    52    53    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    57    51   0.71400  1.0 1.0
   29    33    57    51   0.04300 -1.0 2.0
   29    33    57    51   0.01450  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    61  -2.17200  1.0 1.0
   29    33    57    61  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    57    61    62   0.00000  1.0 1.0
   33    57    61    63   0.00000  1.0 1.0
   33    40    44    47  -0.25900  1.0 1.0
   33    40    44    47  -0.47000 -1.0 2.0
   33    40    44    47   0.11750  1.0 3.0
   37    33    57    51   0.42250  1.0 1.0
   37    33    57    51  -0.48100 -1.0 2.0
   37    33    57    51   0.35650  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    61  -0.84850  1.0 1.0
   37    33    57    61  -0.22800 -1.0 2.0
   37    33    57    61   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.62750  1.0 1.0
   37    33    40    44  -0.30950 -1.0 2.0
   37    33    40    44   0.27300  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    55   0.00000  1.0 1.0
   43    45    49    59   0.00000  1.0 1.0
   43    45   -51    55   0.00000  1.0 1.0
   43    45    51    57   0.00000  1.0 1.0
   45    49    55    56  -0.11250  1.0 1.0
   45    49    55    56   0.11400 -1.0 2.0
   45    49    55    56  -0.28950  1.0 3.0
   45    49   -55    51   3.00000 -1.0 2.0
   45    49    59    60   0.00000  1.0 1.0
   45    49    59    64  -0.43950  1.0 1.0
   45    49    59    64  -0.08100 -1.0 2.0
   45    49    59    64   0.03350  1.0 3.0
   45    51   -57    33   0.00000  1.0 1.0
   45    51    57    58   0.00000  1.0 1.0
   45    51    57    61   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    55   0.15000  1.0 3.0
   46    45    49    59   0.15000  1.0 3.0
   46    45   -51    55   0.00000  1.0 1.0
   46    45    51    57   0.00000  1.0 1.0
   49    45   -51    55   0.00000  1.0 1.0
   49    45    51    57   0.00000  1.0 1.0
   49    55   -51    45   3.00000 -1.0 2.0
   49    55   -51    57   3.00000 -1.0 2.0
   49    59    64    65   3.04450 -1.0 2.0
   49    59    64    66   1.49850  1.0 1.0
   49    59    64    66   1.53950 -1.0 2.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    51   0.00000  1.0 1.0
   50    49    59    60   0.00000  1.0 1.0
   50    49    59    64   0.00000  1.0 1.0
   55    49    59    60   0.00000  1.0 1.0
   55    49    59    64  -0.42300  1.0 1.0
   55    49    59    64  -0.07000 -1.0 2.0
   55    49    59    64   0.04150  1.0 3.0
   55    51    57    33   0.00000  1.0 1.0
   55    51    57    58   0.00000  1.0 1.0
   55    51    57    61   0.00000  1.0 1.0
   56    55   -51    45   3.00000 -1.0 2.0
   56    55    51    57   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    55   3.00000 -1.0 2.0
   51    45    49    59   2.20050  1.0 1.0
   51    45    49    59   0.63450 -1.0 2.0
   51    45    49    59  -0.91300  1.0 3.0
   51    57    61    62   0.00000  1.0 1.0
   51    57    61    63   0.00000  1.0 1.0
   57    33    37    38   0.15000  1.0 3.0
   57    33    37    39   0.15000  1.0 3.0
   57    33   -37    43   0.44750  1.0 1.0
   57    33   -37    43  -0.17800 -1.0 2.0
   57    33   -37    43   0.20200  1.0 3.0
   57    33    40    41   0.15000  1.0 3.0
   57    33    40    42   0.15000  1.0 3.0
   57    33    40    44   0.62750  1.0 1.0
   57    33    40    44  -0.30950 -1.0 2.0
   57    33    40    44   0.27300  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    63   0.00000  1.0 1.0
   59    49    55    56   0.30150 -1.0 2.0
   59    49   -55    51   0.00000  1.0 1.0
   59    64    66    67   1.50000 -1.0 2.0
   59    64    66    68   1.50000 -1.0 2.0
   60    59    64    65   2.45000 -1.0 2.0
   60    59    64    66   2.56700 -1.0 2.0
   64    66    67    69   0.30050 -1.0 2.0
   64    66    67    69   0.16600  1.0 3.0
   64    66    67    80   0.30050 -1.0 2.0
   64    66    67    80   0.16600  1.0 3.0
   64    66    68    71   6.00000 -1.0 2.0
   65    64    66    67   1.00000 -1.0 2.0
   65    64    66    68   1.00000 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    72   3.62500 -1.0 2.0
   66    67    80    78   3.62500 -1.0 2.0
   66    68    71    74   1.50000 -1.0 2.0
   67    66    68    71   6.00000 -1.0 2.0
   67    69    72    73   3.62500 -1.0 2.0
   67    69   -72    78   3.62500 -1.0 2.0
   69    67   -80    78   3.62500 -1.0 2.0
   69    72    78    79   3.62500 -1.0 2.0
   69    72   -78    80   3.62500 -1.0 2.0
   70    69    72    73   3.62500 -1.0 2.0
   70    69    72    78   3.62500 -1.0 2.0
   72    78   -80    67   3.62500 -1.0 2.0
   73    72    78    79   3.62500 -1.0 2.0
   73    72    78    80   3.62500 -1.0 2.0
   79    78    80    67   3.62500 -1.0 2.0
   80    67    69    70   3.62500 -1.0 2.0
   80    67   -69    72   3.62500 -1.0 2.0
   68    66    67    69   1.02250 -1.0 2.0
   68    66    67    80   1.02250 -1.0 2.0
   68    71    74    75   0.37500  1.0 3.0
   68    71    74    76   0.37500  1.0 3.0
   68    71    74    77   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    57    51   0.42250  1.0 1.0
   40    33    57    51  -0.48100 -1.0 2.0
   40    33    57    51   0.35650  1.0 3.0
   40    33    57    58   0.15000  1.0 3.0
   40    33    57    61  -0.84850  1.0 1.0
   40    33    57    61  -0.22800 -1.0 2.0
   40    33    57    61   0.29250  1.0 3.0
   40    44    47    48   3.00000 -1.0 2.0
   40    44    47    52  -0.80800  1.0 1.0
   40    44    47    52   2.06850 -1.0 2.0
   41    40    44    47   0.08050  1.0 3.0
   42    40    44    47   0.08050  1.0 3.0
   44    47    52    53   2.56700 -1.0 2.0
   44    47    52    54   2.56700 -1.0 2.0
   48    47    52    53   2.45000 -1.0 2.0
   48    47    52    54   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
   49    51    55    56  10.50000 -1.0 2.0
   57    55    51    45   1.00000 -1.0 2.0
   62    57    61    63  10.50000 -1.0 2.0
   60    64    59    49   1.00000 -1.0 2.0
   59    66    64    65  10.50000 -1.0 2.0
   64    67    66    68  10.50000 -1.0 2.0
   69    80    67    66   4.00000 -1.0 2.0
   72    70    69    67   1.10000 -1.0 2.0
   78    73    72    69   1.10000 -1.0 2.0
   80    79    78    72   1.10000 -1.0 2.0
   44    52    47    48  10.50000 -1.0 2.0
   54    47    52    53   1.00000 -1.0 2.0
END
