* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    154    229     444
    1     0 S   NP   _N1_     1    28.94976    92.82410   -20.72692
    2     1 S   H    _HN1     2     1.02788    85.11125   -87.19172
    3     1 S   H    _H1_     3     1.02946   100.74298    20.51004
    4     1 S   H    _H2_     4     1.02849    27.55631   126.99268
    5     1 S   CT   _CA1     5     1.50098   135.89873   155.68067
    6     5 S   HC   _HA1     6     1.09574   105.27873    45.72172
    7     5 S   CO3  _C1_     7     1.53821   112.10596   -74.55065
    8     7 S   O2Z  _O11     8     1.26355   115.06410   -50.88287
    9     7 S   O2Z  _O12     9     1.26208   114.84219   128.09543
   10     5 S   CT   _CB1    10     1.53043   107.43240   163.56747
   11    10 S   HC   HB11    11     1.09824   109.53299   -50.30221
   12    10 S   HC   HB12    12     1.09811   110.35094    66.23925
   13    10 S   CT   _CG1    13     1.53038   112.61781  -171.36485
   14    13 S   HC   HG11    14     1.09599   110.37626   -59.10508
   15    13 S   HC   HG12    15     1.09614   110.18357    60.19136
   16    13 S   C    _CD1    16     1.51775   111.95084  -179.37099
   17    16 S   O    _OE1    17     1.22747   123.11339    -7.49774
   18    16 S   N    _N2_    18     1.38640   111.76876   172.28632
   19    18 S   H    _HN2    19     1.01571   119.14454     3.12593
   20    18 S   CT1  _CA2    20     1.46355   123.17978  -174.24848
   21    20 S   HC   _HA2    21     1.09728   109.30103   -14.60012
   22    20 S   C    _C2_    22     1.53320   108.50036  -130.56263
   23    22 S   O    _O2_    23     1.23004   122.28049  -146.09257
   24    20 S   CT   _CB2    32     1.53631   111.24726   107.16169
   25    24 S   HC   HB21    33     1.09380   109.25398    59.37073
   26    24 S   HC   HB22    34     1.09501   110.49279   177.85917
   27    22 S   N    _N3_    24     1.38518   113.30375    41.25733
   28    27 S   H    _HN3    25     1.01534   118.85071    -0.60166
   29    24 S   S    _SG2    35     1.82746   111.18451   -62.27341
   30    27 S   CT   _CA3    26     1.45457   123.51041   175.07602
   31    30 S   HC   HA31    27     1.09519   109.27976    23.14384
   32    30 S   HC   HA32    28     1.09496   107.09632   140.16734
   33    29 S   CT   _C7_    36     1.87064   100.88361   162.03544
   34    30 S   CO3  _C3_    29     1.52937   113.14609  -100.36122
   35    34 S   O2Z  _O31    30     1.26402   115.43362   -43.13799
   36    34 S   O2Z  _O32    31     1.26361   114.96646   137.81209
   37    33 S   CM   _C8_    37     1.52832   105.63820   172.75005
   38    37 S   HC   _H10    38     1.08729   115.09548   105.46944
   39    33 S   CT   _C6_    69     1.56922   111.17478   -65.26752
   40    39 S   HC   _H8_    70     1.09884   107.69263  -162.27532
   41    39 S   HC   _H9_    71     1.09608   106.25370    86.51945
   42    33 S   OS   _O34    82     1.44435   107.74943    54.84021
   43    37 S   CMA  _C9_    39     1.35780   128.81517   -74.12598
   44    43 S   OM   _O33    40     1.26095   130.91519    -1.12082
   45    39 S   CT   _C5_    72     1.56763   121.39874   -36.98083
   46    45 S   HC   _H3_    73     1.09624   108.02310    56.71993
   47    42 S   CT   _C22    83     1.42192   116.73837  -176.71383
   48    47 S   HC   _H23    84     1.09374   107.82973  -169.76134
   49    47 S   HC   _H24    85     1.09319   110.82988    72.65375
   50    47 S   HC   _H25    86     1.09314   112.11822   -50.78676
   51    43 S   NE   _N4_    41     1.41058   118.48277   178.80548
   52    45 S   CT   _C4_    74     1.53734   111.73606   -60.28121
   53    52 S   HC   _H5_    75     1.09432   111.70756   -56.66191
   54    52 S   HC   _H6_    76     1.09342   112.33818  -177.90688
   55    52 S   HC   _H7_    77     1.09222   110.94919    64.28658
   56    45 S   CT   _C23    78     1.56638   112.33543   172.84464
   57    56 S   Cl   Cl1_    79     1.79387   112.29714    63.47187
   58    56 S   Cl   Cl2_    80     1.80464   111.36632   -57.87461
   59    56 S   Cl   Cl3_    81     1.80393   111.31697  -175.40739
   60    51 S   CT   _C10    42     1.46481   120.24911    64.55035
   61    60 S   HC   _H11    43     1.09525   110.48293   146.89236
   62    60 S   HC   _H12    44     1.09573   111.26993    27.75945
   63    60 S   HC   _H13    45     1.09493   110.40761   -92.81384
   64    51 S   CT   _C11    46     1.49377   122.64505   -98.52518
   65    64 S   HC   _H4_    47     1.10003   106.95863   160.94553
   66    64 S   CRA  _C19    48     1.51978   114.71630    43.20569
   67    64 S   CT   _C12    55     1.54777   109.89040   -83.95764
   68    67 S   HC   _H14    56     1.09886   109.83997   -41.30831
   69    67 S   HC   _H15    57     1.09755   111.19849    74.98575
   70    66 S   N5B  _N5_    49     1.31811   125.06450   -87.49701
   71    67 S   CA   _C13    58     1.51310   113.16989  -161.62751
   72    70 S   C5B  _C20    50     1.37953   109.74092   177.75301
   73    72 S   HA   _H21    51     1.08181   119.14550  -178.93192
   74    71 S   CA   _C14    59     1.40132   120.62404  -101.53206
   75    74 S   HA   _H16    60     1.08736   120.36141    -0.56752
   76    72 S   C5A  _C21    52     1.37690   115.78339     0.92999
   77    76 S   HA   _H22    53     1.08040   128.63358  -179.86294
   78    74 S   CA   _C15    61     1.39567   120.45103   179.21840
   79    78 S   HA   _H17    62     1.08620   119.90379  -179.92087
   80    66 S   SA   _S1_    54     1.72559   119.75262    91.45573
   81    78 S   CA   _C16    63     1.39364   120.07959     0.00000
   82    81 S   HA   _H18    64     1.08611   120.02005  -179.98022
   83    81 S   CA   _C17    65     1.39363   119.94985    -0.01978
   84    83 S   HA   _H19    66     1.08620   119.99598  -179.98022
   85    71 S   CA   _C18    67     1.40194   120.36968    77.67266
   86    85 S   HA   _H20    68     1.08726   120.28394     0.71217
  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  10   5   4   3
  17   2   1   1  12   5  15   6   5   6  10   3   9   8   3   2
   1   1  13   7   3   2   1   3   2   1   1   7   3   2   1  12
   7  10  11   4   3   5   9   4   3   8   4   2   1   6   3   1
   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    39    40    41    45    42    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    51    39    40    41    45    46    52    56    42    47    48    49    50  
   35    36  
   36  
    0  
   38    43    44    51    60    64    39    40    41    45    42    47  
   43    44    51    39    42  
   40    41    45    46    52    53    54    55    56    57    58    59    42    47    43  
   41    45    46    52    56    42  
   45    46    52    56    42  
   47    48    49    50    43    45  
   44    51    60    61    62    63    64    65    66    67  
   51    60    64  
   46    52    53    54    55    56    57    58    59  
   52    53    54    55    56    57    58    59  
   48    49    50  
   49    50  
   50  
    0  
   60    61    62    63    64    65    66    70    80    67    68    69    71  
   53    54    55    56    57    58    59  
   54    55    56  
   55    56  
   56  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    70    72    76    80    67    68    69    71    74    85  
   66    70    80    67    68    69    71  
   70    72    73    76    77    80    67    68    69    71  
   68    69    71    74    75    78    83    85    86    70    80  
   69    71    74    85  
   71    74    85  
   72    73    76    77    80  
   74    75    78    79    81    83    84    85    86  
   73    76    77    80  
   76    77    80  
   75    78    79    81    82    83    85    86  
   78    79    81    85  
   77    80  
   80  
   79    81    82    83    84    85  
   81    82    83  
    0  
   82    83    84    85    86  
   83    84    85  
   84    85    86  
   85    86  
   86  
    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   0.417900   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  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.198400   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.993100   1.9050   1.6860   0.051222218  -2.220205820
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.294400   1.9750   1.7500   0.005000000  -0.741685710
   57   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   58   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   59   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   60   3.5000   0.0660   0.055300   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.290300   2.4950   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700   0.185900   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.186200   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.098100   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    51   415.000  1.382
   51    60   382.000  1.448
   51    64   382.000  1.448
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   295.000  1.488
   64    67   268.000  1.529
   66    70   488.000  1.335
   66    80   250.000  1.765
   70    72   410.000  1.394
   72    73   367.000  1.080
   72    76   520.000  1.370
   76    77   367.000  1.080
   76    80   265.000  1.745
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   317.000  1.510
   71    74   469.000  1.400
   71    85   469.000  1.400
   74    75   367.000  1.080
   74    78   469.000  1.400
   78    79   367.000  1.080
   78    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   268.000  1.529
   45    46   340.000  1.090
   45    52   268.000  1.529
   45    56   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   245.000  1.781
   56    58   245.000  1.781
   56    59   245.000  1.781
   42    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    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    39    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    45    58.35000  112.70000
   33    42    47    60.00000  109.50000
   37    43    44    65.00000  137.10300
   37    43    51    75.00000  114.40000
   43    37    38    40.00000  120.50800
   43    51    60    50.00000  121.00000
   43    51    64    50.00000  121.00000
   51    43    44   105.00000  113.92000
   51    60    61    35.00000  109.50000
   51    60    62    35.00000  109.50000
   51    60    63    35.00000  109.50000
   51    64    65    35.00000  109.50000
   51    64    66    75.00000  113.31400
   51    64    67    80.00000  111.61500
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    51    60    50.00000  115.00000
   64    66    70    65.00000  125.57700
   64    66    80    65.00000  125.49400
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    71    70.00000  112.17500
   66    64    65    45.00000  109.19200
   66    70    72    70.00000  110.00000
   66    80    76   120.00000   89.04400
   70    72    73    35.00000  120.00000
   70    72    76    70.00000  111.00000
   72    76    77    35.00000  130.70000
   72    76    80    80.00000  111.29200
   76    72    73    35.00000  128.20000
   80    66    70    80.00000  114.57700
   80    76    77    40.00000  122.38200
   67    64    65    37.50000  110.70000
   67    64    66    70.00000  112.56400
   67    71    74    70.00000  120.00000
   67    71    85    70.00000  120.00000
   69    67    68    33.00000  107.80000
   71    67    68    35.00000  109.50000
   71    67    69    35.00000  109.50000
   71    74    75    35.00000  120.00000
   71    74    78    63.00000  120.00000
   71    85    83    63.00000  120.00000
   71    85    86    35.00000  120.00000
   74    78    79    35.00000  120.00000
   74    78    81    63.00000  120.00000
   78    74    75    35.00000  120.00000
   78    81    82    35.00000  120.00000
   78    81    83    63.00000  120.00000
   81    78    79    35.00000  120.00000
   81    83    84    35.00000  120.00000
   81    83    85    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    85    86    35.00000  120.00000
   85    71    74    63.00000  120.00000
   85    83    84    35.00000  120.00000
   39    33    37    70.00000  112.02700
   39    45    46    37.50000  110.70000
   39    45    52    58.35000  112.70000
   39    45    56    58.35000  112.70000
   41    39    40    33.00000  107.80000
   45    39    40    37.50000  110.70000
   45    39    41    37.50000  110.70000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    55    37.50000  110.70000
   45    56    57    69.00000  109.80000
   45    56    58    69.00000  109.80000
   45    56    59    69.00000  109.80000
   52    45    46    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    45    46    37.50000  110.70000
   56    45    52    58.35000  112.70000
   58    56    57    80.00000  110.42200
   59    56    57    80.00000  110.42200
   59    56    58    80.00000  110.42200
   42    33    37    85.00000  110.90400
   42    33    39    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   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    37    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    45   0.44750  1.0 1.0
   29    33    39    45  -0.17800 -1.0 2.0
   29    33    39    45   0.20200  1.0 3.0
   29    33    42    47   0.14700  1.0 1.0
   29    33    42    47  -1.16150 -1.0 2.0
   29    33    42    47   0.48700  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    51   7.00000 -1.0 2.0
   33    39    45    46   0.15000  1.0 3.0
   33    39    45    52   0.56750  1.0 1.0
   33    39    45    52  -0.07550 -1.0 2.0
   33    39    45    52   0.20000  1.0 3.0
   33    39    45    56   0.56750  1.0 1.0
   33    39    45    56  -0.07550 -1.0 2.0
   33    39    45    56   0.20000  1.0 3.0
   33    42    47    48   0.37050  1.0 3.0
   33    42    47    49   0.37050  1.0 3.0
   33    42    47    50   0.37050  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    45   0.34400  1.0 1.0
   37    33    39    45   0.09450 -1.0 2.0
   37    33    39    45   0.11100  1.0 3.0
   37    33    42    47  -0.77900  1.0 1.0
   37    33    42    47  -0.36900 -1.0 2.0
   37    33    42    47   0.40400  1.0 3.0
   37    43    51    60  -0.54700  1.0 1.0
   37    43    51    60   1.23000 -1.0 2.0
   37    43    51    64  -0.54700  1.0 1.0
   37    43    51    64   1.23000 -1.0 2.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    51   7.00000 -1.0 2.0
   43    51    60    61   0.00000  1.0 1.0
   43    51    60    62   0.00000  1.0 1.0
   43    51    60    63   0.00000  1.0 1.0
   43    51    64    65   0.00000  1.0 1.0
   43    51    64    66  -0.12500  1.0 1.0
   43    51    64    66  -0.12500 -1.0 2.0
   43    51    64    66   0.25000  1.0 3.0
   43    51    64    67   0.25450  1.0 1.0
   43    51    64    67  -0.61700 -1.0 2.0
   43    51    64    67  -0.23550  1.0 3.0
   44    43    51    60   1.00000 -1.0 2.0
   44    43    51    64   1.00000 -1.0 2.0
   51    64    66    70   0.04300 -1.0 2.0
   51    64    66    80   0.04300 -1.0 2.0
   51    64    67    68   0.22950  1.0 3.0
   51    64    67    69   0.22950  1.0 3.0
   51    64    67    71   0.08550  1.0 1.0
   51    64    67    71   1.07500 -1.0 2.0
   51    64    67    71  -0.10950  1.0 3.0
   60    51    64    65   0.00000  1.0 1.0
   60    51    64    66   0.00000  1.0 1.0
   60    51    64    67   0.00000  1.0 1.0
   64    51    60    61   0.00000  1.0 1.0
   64    51    60    62   0.00000  1.0 1.0
   64    51    60    63   0.00000  1.0 1.0
   64    66    70    72   3.62500 -1.0 2.0
   64    66    80    76   3.62500 -1.0 2.0
   64    67    71    74   0.04150 -1.0 2.0
   64    67    71    85   0.04150 -1.0 2.0
   65    64    66    70   0.00000  1.0 1.0
   65    64    66    80   0.00000  1.0 1.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    71   0.43200  1.0 3.0
   66    64    67    68   0.43200  1.0 3.0
   66    64    67    69   0.43200  1.0 3.0
   66    64    67    71  -0.94300  1.0 1.0
   66    64    67    71   1.32550 -1.0 2.0
   66    64    67    71  -0.07100  1.0 3.0
   66    70    72    73   2.40000 -1.0 2.0
   66    70   -72    76   2.40000 -1.0 2.0
   70    66   -80    76   3.62500 -1.0 2.0
   70    72    76    77   3.62500 -1.0 2.0
   70    72   -76    80   3.62500 -1.0 2.0
   72    76   -80    66   3.62500 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    80   3.62500 -1.0 2.0
   77    76    80    66   3.62500 -1.0 2.0
   80    66   -70    72   3.62500 -1.0 2.0
   67    64    66    70   0.29300  1.0 1.0
   67    64    66    70  -1.19700 -1.0 2.0
   67    64    66    70   0.60900  1.0 3.0
   67    64    66    80  -1.00500  1.0 1.0
   67    64    66    80  -0.91300 -1.0 2.0
   67    64    66    80   0.11400  1.0 3.0
   67    71    74    75   3.62500 -1.0 2.0
   67    71    74    78   3.62500 -1.0 2.0
   67    71    85    83   3.62500 -1.0 2.0
   67    71    85    86   3.62500 -1.0 2.0
   68    67    71    74   0.00000  1.0 1.0
   68    67    71    85   0.00000  1.0 1.0
   69    67    71    74   0.00000  1.0 1.0
   69    67    71    85   0.00000  1.0 1.0
   71    74    78    79   3.62500 -1.0 2.0
   71    74    78    81   3.62500 -1.0 2.0
   74    71    85    83   3.62500 -1.0 2.0
   74    71    85    86   3.62500 -1.0 2.0
   74    78    81    82   3.62500 -1.0 2.0
   74    78   -81    83   3.62500 -1.0 2.0
   75    74    78    79   3.62500 -1.0 2.0
   75    74    78    81   3.62500 -1.0 2.0
   78    81    83    84   3.62500 -1.0 2.0
   78    81    83    85   3.62500 -1.0 2.0
   79    78    81    82   3.62500 -1.0 2.0
   79    78    81    83   3.62500 -1.0 2.0
   81    83   -85    71   3.62500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    85   3.62500 -1.0 2.0
   84    83    85    71   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   85    71    74    75   3.62500 -1.0 2.0
   85    71   -74    78   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    42    47   0.06250  1.0 1.0
   39    33    42    47  -0.01100 -1.0 2.0
   39    33    42    47   0.28050  1.0 3.0
   39    45    52    53   0.15000  1.0 3.0
   39    45    52    54   0.15000  1.0 3.0
   39    45    52    55   0.15000  1.0 3.0
   39    45    56    57   0.35600  1.0 1.0
   39    45    56    57  -0.14650 -1.0 2.0
   39    45    56    57   0.33350  1.0 3.0
   39    45    56    58   0.35600  1.0 1.0
   39    45    56    58  -0.14650 -1.0 2.0
   39    45    56    58   0.33350  1.0 3.0
   39    45    56    59   0.35600  1.0 1.0
   39    45    56    59  -0.14650 -1.0 2.0
   39    45    56    59   0.33350  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    52   0.15000  1.0 3.0
   40    39    45    56   0.15000  1.0 3.0
   41    39    45    46   0.15000  1.0 3.0
   41    39    45    52   0.15000  1.0 3.0
   41    39    45    56   0.15000  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   46    45    52    55   0.15000  1.0 3.0
   46    45    56    57   0.27000  1.0 3.0
   46    45    56    58   0.27000  1.0 3.0
   46    45    56    59   0.27000  1.0 3.0
   52    45    56    57   0.35600  1.0 1.0
   52    45    56    57  -0.14650 -1.0 2.0
   52    45    56    57   0.33350  1.0 3.0
   52    45    56    58   0.35600  1.0 1.0
   52    45    56    58  -0.14650 -1.0 2.0
   52    45    56    58   0.33350  1.0 3.0
   52    45    56    59   0.35600  1.0 1.0
   52    45    56    59  -0.14650 -1.0 2.0
   52    45    56    59   0.33350  1.0 3.0
   56    45    52    53   0.15000  1.0 3.0
   56    45    52    54   0.15000  1.0 3.0
   56    45    52    55   0.15000  1.0 3.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    37    43   0.39000  1.0 1.0
   42    33    37    43  -0.05800 -1.0 2.0
   42    33    37    43  -0.55150  1.0 3.0
   42    33    39    40   0.23400  1.0 3.0
   42    33    39    41   0.23400  1.0 3.0
   42    33    39    45   0.62750  1.0 1.0
   42    33    39    45  -0.30950 -1.0 2.0
   42    33    39    45   0.27300  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    43  15.00000 -1.0 2.0
   51    44    43    37  15.00000 -1.0 2.0
   64    43    51    60   1.00000 -1.0 2.0
   70    80    66    64   4.00000 -1.0 2.0
   76    73    72    70   1.10000 -1.0 2.0
   80    77    76    72   1.10000 -1.0 2.0
   74    85    71    67   4.00000 -1.0 2.0
   78    75    74    71   1.10000 -1.0 2.0
   81    79    78    74   1.10000 -1.0 2.0
   83    82    81    78   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   83    86    85    71   1.10000 -1.0 2.0
END
