* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    145    230     416
    1     0 S   NP   _N1_     1    28.93011    95.82348   -19.72933
    2     1 S   H    _HN1     2     1.02961    87.39927    28.81778
    3     1 S   H    _H1_     3     1.02839    39.41317   149.93971
    4     1 S   H    _H2_     4     1.02781    82.71419   -80.02681
    5     1 S   CT   _CA1     5     1.50091   150.01655   157.12488
    6     5 S   HC   _HA1     6     1.09580   105.25110    54.20493
    7     5 S   CO3  _C1_     7     1.53796   112.47267   -65.98781
    8     7 S   O2Z  _O11     8     1.26351   115.01199   -43.45149
    9     7 S   O2Z  _O12     9     1.26253   114.91758   135.88590
   10     5 S   CT   _CB1    10     1.53120   107.45655   172.08768
   11    10 S   HC   HB11    11     1.09816   109.32124   -51.62938
   12    10 S   HC   HB12    12     1.09817   110.44492    64.95288
   13    10 S   CT   _CG1    13     1.52951   112.56728  -172.78768
   14    13 S   HC   HG11    14     1.09591   110.29518   -63.54823
   15    13 S   HC   HG12    15     1.09627   109.96102    55.65162
   16    13 S   C    _CD1    16     1.51756   112.53428   175.91644
   17    16 S   O    _OE1    17     1.22703   123.30648    -6.49389
   18    16 S   N    _N2_    18     1.38569   111.53858   173.96840
   19    18 S   H    _HN2    19     1.01587   119.00508     0.82827
   20    18 S   CT1  _CA2    20     1.46137   123.58002  -179.85873
   21    20 S   HC   _HA2    21     1.09726   109.51684   -11.62746
   22    20 S   C    _C2_    22     1.53394   107.73801  -127.24462
   23    22 S   O    _O2_    23     1.22990   122.41033  -141.93640
   24    20 S   CT   _CB2    32     1.53271   111.35187   110.66258
   25    24 S   HC   HB21    33     1.09691   109.76473    54.06116
   26    24 S   HC   HB22    34     1.09552   110.52360   172.55102
   27    22 S   N    _N3_    24     1.38567   113.19822    45.25151
   28    27 S   H    _HN3    25     1.01514   118.94223    -0.79795
   29    24 S   S    _SG2    35     1.82837   111.91268   -67.52258
   30    27 S   CT   _CA3    26     1.45416   123.32284   174.81575
   31    30 S   HC   HA31    27     1.09533   109.08610    27.46700
   32    30 S   HC   HA32    28     1.09491   107.15432   144.47486
   33    29 S   CM   _C24    36     1.73373    99.21930   165.16124
   34    33 S   Cl   Cl1_    37     1.73081   117.41831    81.52276
   35    30 S   CO3  _C3_    29     1.52920   113.23504   -95.94423
   36    35 S   O2Z  _O31    30     1.26395   115.45157   -43.18166
   37    35 S   O2Z  _O32    31     1.26363   114.94301   137.79399
   38    33 S   CM   _C23    38     1.34324   121.06423   -97.76247
   39    38 S   HC   _H17    39     1.08979   117.84730    -0.35388
   40    38 S   C3T  _C6_    40     1.46993   127.23722   176.56407
   41    40 S   HC   _H3_    41     1.08771   112.61440   -60.01781
   42    40 S   C3T  _C7_    42     1.51906   118.07037   158.94158
   43    42 S   HC   _H4_    43     1.08712   117.86544    -8.46835
   44    40 S   C3T  _C5_    44     1.51537   122.90840    88.17887
   45    42 S   CO4  _C8_    53     1.48011   118.52795   132.69520
   46    45 S   O    _O33    54     1.22140   122.54532   136.13897
   47    44 S   CT   _C4_    45     1.50928   116.88560  -143.85838
   48    47 S   HC   _H6_    46     1.09495   110.30923  -150.49334
   49    47 S   HC   _H7_    47     1.09519   110.19118    89.99903
   50    47 S   HC   _H8_    48     1.09521   112.46913   -29.89189
   51    44 S   CT   _C25    49     1.50965   120.11285    -0.12511
   52    51 S   HC   _H18    50     1.09523   110.15099   159.53286
   53    51 S   HC   _H19    51     1.09505   112.60625    39.69752
   54    51 S   HC   _H20    52     1.09499   110.33155   -81.08323
   55    45 S   OS   _O34    55     1.35726   110.38871   -45.84759
   56    55 S   CT   _C9_    56     1.44422   118.72227  -178.72282
   57    56 S   HC   _H5_    57     1.09727   108.39117    41.40069
   58    56 S   CZ   _C10    58     1.47213   110.38078   -79.84403
   59    58 S   NZ   _N4_    59     1.16066   179.77794    36.97875
   60    56 S   CA   _C11    60     1.51692   107.24488   158.82512
   61    60 S   CA   _C12    61     1.40503   120.11916  -143.22142
   62    61 S   HA   _H9_    62     1.08773   120.37149    -0.01978
   63    61 S   CA   _C13    63     1.39712   120.68061  -179.96044
   64    63 S   HA   _H10    64     1.08572   120.21945   179.66545
   65    63 S   CA   _C14    65     1.39070   119.70421    -0.34435
   66    65 S   F    F1__    66     1.34057   119.30834   179.62727
   67    65 S   CA   _C15    67     1.39195   120.40193    -0.25101
   68    60 S   CA   _C16    68     1.40639   121.11685    37.60290
   69    68 S   HA   _H11    69     1.08781   120.50827     0.52860
   70    67 S   OS   _O35    70     1.37175   121.45804   178.65099
   71    70 S   CA   _C17    71     1.38025   117.72062    74.00677
   72    71 S   CA   _C18    72     1.39924   124.98015    21.88631
   73    72 S   HA   _H12    73     1.08588   121.80988    -0.36691
   74    72 S   CA   _C19    74     1.39661   119.92899   179.41818
   75    74 S   HA   _H13    75     1.08682   119.84566   179.46113
   76    74 S   CA   _C20    76     1.39412   120.24025    -0.73675
   77    76 S   HA   _H14    77     1.08618   120.04123  -179.91377
   78    76 S   CA   _C21    78     1.39327   119.92307    -0.22294
   79    78 S   HA   _H15    79     1.08616   120.03080  -179.66604
   80    71 S   CA   _C22    80     1.39836   115.38534  -160.16213
   81    80 S   HA   _H16    81     1.08707   120.32052     0.86998
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   7   3   2   1   1   9   4  15   6  14   6  11   8   2   7   3
   2   1   3   2   1   1   7  10   5   4   1   9   8   4   6   3
   6   3   6   3   1   7   9   8   4   6   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    51    45  
   40    41    42    44  
   41    42    43    44    47    48    49    50    51    52    53    54    45    46    55  
   42    43    44    47    51    45  
   43    44    47    48    49    50    51    52    53    54    45    46    55    56  
   44    47    51    45    46    55  
   47    48    49    50    51    52    53    54    45    46    55  
   46    55    56    57    58    60    47    51  
   55    56  
   48    49    50    51    52    53    54  
   49    50    51  
   50    51  
   51  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    68  
   57    58    59    60    61    62    63    67    68    69  
   58    59    60    61    68  
   59    60    61    68  
   60  
   61    62    63    64    65    67    68    69    70  
   62    63    64    65    66    67    68    69  
   63    64    65    68  
   64    65    66    67    68    70  
   65    66    67  
   66    67    68    69    70    71  
   67    68    70  
   68    69    70    71    72    80  
   69    70    71  
   70  
   71    72    73    74    78    80    81  
   72    73    74    75    76    78    79    80    81  
   73    74    75    76    77    78    80    81  
   74    75    76    80  
   75    76    77    78    79    80  
   76    77    78  
   77    78    79    80    81  
   78    79    80  
   79    80    81  
   80    81  
   81  
    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  -0.175000   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   3.5500   0.0760   0.127500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   59   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   60   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   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    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   240.000  1.763
   33    34   300.000  1.725
   33    38   549.000  1.340
   38    39   340.000  1.080
   38    40   305.000  1.480
   40    41   340.000  1.088
   40    42   260.000  1.509
   40    44   260.000  1.509
   42    43   340.000  1.088
   42    44   260.000  1.509
   42    45   290.000  1.496
   44    47   275.000  1.510
   44    51   275.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   45    46   570.000  1.229
   45    55   214.000  1.327
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   390.000  1.470
   56    60   317.000  1.510
   58    59   650.000  1.157
   60    61   469.000  1.400
   60    68   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   420.000  1.354
   65    67   469.000  1.400
   67    68   469.000  1.400
   67    70   450.000  1.364
   68    69   367.000  1.080
   70    71   450.000  1.364
   71    72   469.000  1.400
   71    80   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    75.00000  112.00000
   29    33    38    65.00000  122.11800
   33    38    39    35.00000  120.00000
   33    38    40    55.00000  125.06700
   38    33    34    75.00000  121.50000
   38    40    41    40.00000  112.45000
   38    40    42    60.00000  120.58800
   38    40    44    60.00000  120.58800
   40    38    39    40.00000  117.24000
   40    42    43    37.50000  117.20000
   40    42    44    10.00000   60.00500
   40    42    45    65.00000  117.18000
   40    44    42    10.00000   60.00500
   40    44    47    60.00000  120.94000
   40    44    51    60.00000  120.94000
   42    40    41    37.50000  117.20000
   42    44    47    60.00000  120.94000
   42    44    51    60.00000  120.94000
   42    45    46    75.00000  121.36600
   42    45    55    81.00000  111.40000
   44    40    41    37.50000  117.20000
   44    40    42    10.00000   60.00500
   44    42    43    37.50000  117.20000
   44    47    48    45.00000  109.38400
   44    47    49    45.00000  109.38400
   44    47    50    45.00000  109.38400
   44    51    52    45.00000  109.38400
   44    51    53    45.00000  109.38400
   44    51    54    45.00000  109.38400
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    44    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   45    42    43    40.00000  116.18000
   45    42    44    65.00000  117.18000
   45    55    56    83.00000  116.90000
   55    45    46    83.00000  123.40000
   55    56    57    35.00000  109.50000
   55    56    58    90.00000  109.17800
   55    56    60    85.00000  111.85700
   56    58    59   150.00000  180.00000
   56    60    61    70.00000  120.00000
   56    60    68    70.00000  120.00000
   58    56    57    35.00000  108.50000
   60    56    57    35.00000  109.50000
   60    56    58    70.00000  111.71400
   60    61    62    35.00000  120.00000
   60    61    63    63.00000  120.00000
   60    68    67    63.00000  120.00000
   60    68    69    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    80.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    63.00000  120.00000
   65    67    70    70.00000  120.00000
   67    65    66    80.00000  120.00000
   67    68    69    35.00000  120.00000
   67    70    71    85.00000  114.70000
   68    60    61    63.00000  120.00000
   70    67    68    70.00000  120.00000
   70    71    72    70.00000  120.00000
   70    71    80    70.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    80    78    63.00000  120.00000
   71    80    81    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  120.00000
   80    71    72    63.00000  120.00000
   80    78    79    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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    42   0.09850  1.0 1.0
   33    38    40    42   0.15250 -1.0 2.0
   33    38    40    42  -0.50650  1.0 3.0
   33    38    40    44   0.09850  1.0 1.0
   33    38    40    44   0.15250 -1.0 2.0
   33    38    40    44  -0.50650  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    40    42    43   0.15000  1.0 3.0
   38    40   -42    44   0.34400  1.0 1.0
   38    40   -42    44   0.09450 -1.0 2.0
   38    40   -42    44   0.11100  1.0 3.0
   38    40    42    45  -0.98800  1.0 1.0
   38    40    42    45   0.48800 -1.0 2.0
   38    40    42    45   0.76800  1.0 3.0
   38    40   -44    42   0.34400  1.0 1.0
   38    40   -44    42   0.09450 -1.0 2.0
   38    40   -44    42   0.11100  1.0 3.0
   38    40    44    47   0.34400  1.0 1.0
   38    40    44    47   0.09450 -1.0 2.0
   38    40    44    47   0.11100  1.0 3.0
   38    40    44    51   0.34400  1.0 1.0
   38    40    44    51   0.09450 -1.0 2.0
   38    40    44    51   0.11100  1.0 3.0
   39    38    40    41   0.33100  1.0 3.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   40    42   -44    47   0.07850  1.0 1.0
   40    42   -44    47  -0.03950 -1.0 2.0
   40    42   -44    47   0.67350  1.0 3.0
   40    42   -44    51   0.07850  1.0 1.0
   40    42   -44    51  -0.03950 -1.0 2.0
   40    42   -44    51   0.67350  1.0 3.0
   40    42    45    46   0.30150 -1.0 2.0
   40    42    45    55   0.36750  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    49   0.15000  1.0 3.0
   40    44    47    50   0.15000  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    54   0.15000  1.0 3.0
   41    40    42    43   0.15000  1.0 3.0
   41    40   -42    44   0.15000  1.0 3.0
   41    40    42    45   0.15000  1.0 3.0
   41    40   -44    42   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   42    40   -44    47   0.07850  1.0 1.0
   42    40   -44    47  -0.03950 -1.0 2.0
   42    40   -44    47   0.67350  1.0 3.0
   42    40   -44    51   0.07850  1.0 1.0
   42    40   -44    51  -0.03950 -1.0 2.0
   42    40   -44    51   0.67350  1.0 3.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    47    50   0.15000  1.0 3.0
   42    44    51    52   0.15000  1.0 3.0
   42    44    51    53   0.15000  1.0 3.0
   42    44    51    54   0.15000  1.0 3.0
   42    45    55    56   1.63150  1.0 1.0
   42    45    55    56   2.92000 -1.0 2.0
   43    42   -44    40   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    44    51   0.15000  1.0 3.0
   43    42    45    46   0.50000  1.0 3.0
   43    42    45    55   0.00000  1.0 1.0
   44    40   -42    43   0.15000  1.0 3.0
   44    40   -42    45  -0.95700  1.0 1.0
   44    40   -42    45  -0.18200 -1.0 2.0
   44    40   -42    45   0.29450  1.0 3.0
   44    42    45    46   0.30150 -1.0 2.0
   44    42    45    55   0.36750  1.0 3.0
   47    44    51    52   0.15000  1.0 3.0
   47    44    51    53   0.15000  1.0 3.0
   47    44    51    54   0.15000  1.0 3.0
   51    44    47    48   0.15000  1.0 3.0
   51    44    47    49   0.15000  1.0 3.0
   51    44    47    50   0.15000  1.0 3.0
   45    42   -44    40  -0.95700  1.0 1.0
   45    42   -44    40  -0.18200 -1.0 2.0
   45    42   -44    40   0.29450  1.0 3.0
   45    42    44    47  -0.95700  1.0 1.0
   45    42    44    47  -0.18200 -1.0 2.0
   45    42    44    47   0.29450  1.0 3.0
   45    42    44    51  -0.95700  1.0 1.0
   45    42    44    51  -0.18200 -1.0 2.0
   45    42    44    51   0.29450  1.0 3.0
   45    55    56    57   0.08050  1.0 3.0
   45    55    56    58  -0.24150  1.0 1.0
   45    55    56    58  -0.46200 -1.0 2.0
   45    55    56    58   0.11700  1.0 3.0
   45    55    56    60  -0.43900 -1.0 2.0
   45    55    56    60   0.14100  1.0 3.0
   46    45    55    56   3.00000 -1.0 2.0
   55    56    58    59   0.00000  1.0 1.0
   55    56    60    61   0.64500  1.0 1.0
   55    56    60    61   0.14800 -1.0 2.0
   55    56    60    61   0.20650  1.0 3.0
   55    56    60    68   0.64500  1.0 1.0
   55    56    60    68   0.14800 -1.0 2.0
   55    56    60    68   0.20650  1.0 3.0
   56    60    61    62   3.62500 -1.0 2.0
   56    60    61    63   3.62500 -1.0 2.0
   56    60    68    67   3.62500 -1.0 2.0
   56    60    68    69   3.62500 -1.0 2.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    68   0.00000  1.0 1.0
   58    56    60    61   0.04300 -1.0 2.0
   58    56    60    68   0.04300 -1.0 2.0
   60    56    58    59   0.00000  1.0 1.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    65   3.62500 -1.0 2.0
   61    60    68    67   3.62500 -1.0 2.0
   61    60    68    69   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63   -65    67   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65    67    70   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67   -68    60   3.62500 -1.0 2.0
   65    67    68    69   3.62500 -1.0 2.0
   65    67    70    71   0.47150 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    70   3.62500 -1.0 2.0
   67    70    71    72   0.47150 -1.0 2.0
   67    70    71    80   0.47150 -1.0 2.0
   68    60    61    62   3.62500 -1.0 2.0
   68    60   -61    63   3.62500 -1.0 2.0
   68    67    70    71   0.47150 -1.0 2.0
   70    67    68    60   3.62500 -1.0 2.0
   70    67    68    69   3.62500 -1.0 2.0
   70    71    72    73   3.62500 -1.0 2.0
   70    71    72    74   3.62500 -1.0 2.0
   70    71    80    78   3.62500 -1.0 2.0
   70    71    80    81   3.62500 -1.0 2.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    76   3.62500 -1.0 2.0
   72    71    80    78   3.62500 -1.0 2.0
   72    71    80    81   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74   -76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76    78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78   -80    71   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   79    78    80    71   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    71    72    73   3.62500 -1.0 2.0
   80    71   -72    74   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
   29    34    33    38  15.00000 -1.0 2.0
   40    39    38    33  15.00000 -1.0 2.0
   42    55    45    46  10.50000 -1.0 2.0
   61    68    60    56   4.00000 -1.0 2.0
   63    62    61    60   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   67    66    65    63   4.00000 -1.0 2.0
   68    70    67    65   4.00000 -1.0 2.0
   67    69    68    60   1.10000 -1.0 2.0
   72    80    71    70   4.00000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   78    81    80    71   1.10000 -1.0 2.0
END
