* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    141    210     406
    1     0 S   NP   _N1_     1    28.67634    96.42642   -23.57311
    2     1 S   H    _HN1     2     1.02786   106.71482   -84.87014
    3     1 S   H    _H1_     3     1.02950    69.42518    18.93855
    4     1 S   H    _H2_     4     1.02829    40.29754   176.99111
    5     1 S   CT   _CA1     5     1.50108   138.23862   116.92470
    6     5 S   HC   _HA1     6     1.09573   105.20098    96.03397
    7     5 S   CO3  _C1_     7     1.53789   112.45663   -24.21451
    8     7 S   O2Z  _O11     8     1.26372   115.00422   -42.76411
    9     7 S   O2Z  _O12     9     1.26240   114.94885   136.38769
   10     5 S   CT   _CB1    10     1.53084   107.42723  -145.97758
   11    10 S   HC   HB11    11     1.09833   109.38376   -49.73444
   12    10 S   HC   HB12    12     1.09813   110.44753    66.87745
   13    10 S   CT   _CG1    13     1.52991   112.59520  -170.70948
   14    13 S   HC   HG11    14     1.09582   110.62861   -65.44364
   15    13 S   HC   HG12    15     1.09670   109.78603    53.78543
   16    13 S   C    _CD1    16     1.51798   112.23322   174.24878
   17    16 S   O    _OE1    17     1.22720   123.26789     6.76854
   18    16 S   N    _N2_    18     1.38644   111.66571  -173.33809
   19    18 S   H    _HN2    19     1.01582   118.87707     1.86435
   20    18 S   CT1  _CA2    20     1.46184   123.47850   177.48588
   21    20 S   HC   _HA2    21     1.09657   109.40247     2.84414
   22    20 S   C    _C2_    22     1.53522   108.67368  -112.55026
   23    22 S   O    _O2_    23     1.23055   122.28434  -147.67278
   24    20 S   CT   _CB2    32     1.53293   111.52563   124.89716
   25    24 S   HC   HB21    33     1.09575   110.05908    55.37416
   26    24 S   HC   HB22    34     1.09428   109.88711   174.49654
   27    22 S   N    _N3_    24     1.38315   113.68275    39.81468
   28    27 S   H    _HN3    25     1.01583   119.61507    -3.30067
   29    24 S   S    _SG2    35     1.82768   111.48933   -65.88064
   30    27 S   CT   _CA3    26     1.45283   123.21059   177.04210
   31    30 S   HC   HA31    27     1.09549   107.48974   -65.14876
   32    30 S   HC   HA32    28     1.09556   108.01287    51.29881
   33    29 S   CT   _C6_    36     1.84312   100.12171   165.48710
   34    33 S   HC   _H4_    37     1.09692   106.17669   -55.25000
   35    30 S   CO3  _C3_    29     1.52958   114.06855   173.31760
   36    35 S   O2Z  _O31    30     1.26378   116.06874    -0.56232
   37    35 S   O2Z  _O32    31     1.26428   114.41183   179.51261
   38    33 S   CT   _C7_    38     1.53128   107.16282  -169.46907
   39    38 S   HC   _H10    39     1.09522   112.28566   -63.85591
   40    38 S   HC   _H11    40     1.09435   111.15391   175.30155
   41    38 S   HC   _H12    41     1.09656   111.08076    56.97206
   42    33 S   CT   _C5_    42     1.54507   113.44666    63.75485
   43    42 S   HC   _H3_    43     1.09744   109.37377   -57.14863
   44    42 S   CO4  _C8_    44     1.52208   113.21159    62.83422
   45    44 S   O    _O33    45     1.22377   124.55604    85.47508
   46    42 S   CT   _C4_    75     1.53270   112.30946  -173.20563
   47    46 S   HC   _H7_    76     1.09458   112.30563   -66.45401
   48    46 S   HC   _H8_    77     1.09610   110.34747   174.35399
   49    46 S   HC   _H9_    78     1.09484   110.86017    54.89863
   50    44 S   OS   _O34    46     1.36390   109.69878   -94.72112
   51    50 S   CT   _C9_    47     1.43194   116.69958  -177.62249
   52    51 S   HC   _H5_    48     1.09613   112.12350   -36.38517
   53    51 S   CA   _C10    49     1.48573   109.99385  -158.57579
   54    51 S   CT   _C16    59     1.54700   110.51909    92.57349
   55    54 S   HC   _H6_    60     1.10025   109.64346    17.61429
   56    53 S   CA   _C11    50     1.38689   129.26841    55.60068
   57    56 S   HA   _H13    51     1.08431   119.31614    -2.27038
   58    54 S   CM   _C17    61     1.51537   113.70288  -105.03424
   59    56 S   CA   _C12    52     1.40161   118.40142   177.30659
   60    58 S   CM   _C18    62     1.34301   121.11168   110.29254
   61    60 S   HC   _H16    63     1.08515   121.44652   179.79729
   62    60 S   HC   _H17    64     1.08514   121.50338    -0.47147
   63    58 S   CT   _C19    65     1.50378   117.92264   -70.21746
   64    63 S   HC   _H18    66     1.09455   110.60187   -60.93020
   65    63 S   HC   _H19    67     1.09391   110.88234    59.52705
   66    63 S   HC   _H20    68     1.09545   111.94978   179.37193
   67    59 S   CA   _C13    53     1.41101   119.99128    -0.17246
   68    67 S   HA   _H14    54     1.08767   120.75937  -179.77971
   69    59 S   CO4  _C20    69     1.49079   121.55196  -179.62885
   70    69 S   O    _O36    70     1.22886   119.98158  -173.82073
   71    67 S   CA   _C14    55     1.39715   120.78232    -0.37325
   72    71 S   HA   _H15    56     1.08440   120.75969  -179.40291
   73    69 S   CT   _C21    71     1.50656   119.02624     6.38537
   74    73 S   HC   _H21    72     1.09311   110.37714    57.44607
   75    73 S   HC   _H22    73     1.09164   110.18960   -65.41106
   76    73 S   HC   _H23    74     1.09452   109.19351   175.89401
   77    53 S   CA   _C15    57     1.38414   109.68690  -127.31109
   78    77 S   OS   _O35    58     1.36939   113.94500     1.23511
  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
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1   9  13   7  12  13   5  10   4   9  11   7   2   1   4   2
   1   1   8   4   6   4   3   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    54    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    56    77    78    54    55    58  
   52    53    56    57    59    71    77    78    54    55    58    60    63  
   53    56    77    78    54    55    58  
   56    57    59    67    71    72    77    78    54    55    58    69  
   55    58    60    61    62    63    64    65    66    56    71    77    78  
   58    60    63    77    78  
   57    59    67    68    71    77    78    69    70    73  
   59    67    77    69  
   60    61    62    63    64    65    66    77    78  
   67    68    71    72    77    69    70    73    74    75    76  
   61    62    63    64    65    66    78  
   62    63  
   63  
   64    65    66    78  
   65    66  
   66  
    0  
   68    71    72    77    78    69    70    73  
   71    72    77    69  
   70    73    74    75    76    71  
   73    74    75    76  
   72    77    78  
   77    78  
   74    75    76  
   75    76  
   76  
    0  
   78  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    54   268.000  1.529
   53    56   469.000  1.400
   53    77   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    67   469.000  1.400
   59    69   310.000  1.470
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    77   469.000  1.400
   77    78   450.000  1.364
   78    54   320.000  1.410
   54    55   340.000  1.090
   54    58   317.000  1.510
   58    60   549.000  1.340
   58    63   317.000  1.510
   60    61   340.000  1.080
   60    62   340.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   69    70   570.000  1.229
   69    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  111.85700
   50    51    54    50.00000  109.50000
   51    53    56    70.00000  120.00000
   51    53    77    70.00000  120.00000
   51    54    78    50.00000  109.50000
   51    54    55    37.50000  110.70000
   51    54    58    70.00000  112.02700
   53    51    52    35.00000  109.50000
   53    56    57    35.00000  120.00000
   53    56    59    63.00000  120.00000
   53    77    71    63.00000  120.00000
   53    77    78    70.00000  120.00000
   56    59    67    63.00000  120.00000
   56    59    69    60.00000  119.52600
   59    56    57    35.00000  120.00000
   59    67    68    35.00000  120.00000
   59    67    71    63.00000  120.00000
   59    69    70    75.00000  123.78400
   59    69    73    65.00000  115.47100
   67    71    72    35.00000  120.00000
   67    71    77    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    77    78    70.00000  120.00000
   77    53    56    63.00000  120.00000
   77    71    72    35.00000  120.00000
   77    78    54    75.00000  111.00000
   78    54    55    35.00000  109.50000
   78    54    58    85.00000  110.90400
   54    51    52    37.50000  110.70000
   54    51    53    70.00000  112.17500
   54    58    60    70.00000  124.00000
   54    58    63    65.00000  117.92700
   58    54    55    35.00000  109.50000
   58    60    61    35.00000  120.00000
   58    60    62    35.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   62    60    61    35.00000  117.00000
   63    58    60    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   69    59    67    60.00000  119.52600
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   73    69    70    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.43900 -1.0 2.0
   44    50    51    53   0.14100  1.0 3.0
   44    50    51    54  -0.25900  1.0 1.0
   44    50    51    54  -0.47000 -1.0 2.0
   44    50    51    54   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    56   0.64500  1.0 1.0
   50    51    53    56   0.14800 -1.0 2.0
   50    51    53    56   0.20650  1.0 3.0
   50    51    53    77   0.64500  1.0 1.0
   50    51    53    77   0.14800 -1.0 2.0
   50    51    53    77   0.20650  1.0 3.0
   50    51    54    78   1.11900  1.0 1.0
   50    51    54    78  -1.16350 -1.0 2.0
   50    51    54    78  -0.34150  1.0 3.0
   50    51    54    55   0.23400  1.0 3.0
   50    51    54    58   0.61850  1.0 1.0
   50    51    54    58  -0.22750 -1.0 2.0
   50    51    54    58   0.15300  1.0 3.0
   51    53    56    57   3.62500 -1.0 2.0
   51    53    56    59   3.62500 -1.0 2.0
   51    53    77    71   3.62500 -1.0 2.0
   51    53   -77    78   3.62500 -1.0 2.0
   51    54    58    60   0.09850  1.0 1.0
   51    54    58    60   0.15250 -1.0 2.0
   51    54    58    60  -0.50650  1.0 3.0
   51    54    58    63   0.46850  1.0 1.0
   51    54    58    63   0.08550 -1.0 2.0
   51    54    58    63   0.09800  1.0 3.0
   52    51    53    56   0.00000  1.0 1.0
   52    51    53    77   0.00000  1.0 1.0
   52    51    54    78   0.23400  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    58   0.15000  1.0 3.0
   53    51   -54    78  -0.64350  1.0 1.0
   53    51   -54    78  -0.04200 -1.0 2.0
   53    51   -54    78   0.19800  1.0 3.0
   53    51    54    55   0.43200  1.0 3.0
   53    51    54    58   0.21200  1.0 1.0
   53    51    54    58   0.16900 -1.0 2.0
   53    51    54    58  -1.15100  1.0 3.0
   53    56    59    67   3.62500 -1.0 2.0
   53    56    59    69   3.62500 -1.0 2.0
   53    77   -78    54   1.63200 -1.0 2.0
   56    53    77    71   3.62500 -1.0 2.0
   56    53    77    78   3.62500 -1.0 2.0
   56    59    67    68   3.62500 -1.0 2.0
   56    59   -67    71   3.62500 -1.0 2.0
   56    59    69    70   1.05000 -1.0 2.0
   56    59    69    73   2.26350  1.0 1.0
   56    59    69    73   0.76750 -1.0 2.0
   56    59    69    73   0.22500  1.0 3.0
   57    56    59    67   3.62500 -1.0 2.0
   57    56    59    69   3.62500 -1.0 2.0
   59    67    71    72   3.62500 -1.0 2.0
   59    67    71    77   3.62500 -1.0 2.0
   59    69    73    74   0.00000  1.0 1.0
   59    69    73    75   0.00000  1.0 1.0
   59    69    73    76   0.00000  1.0 1.0
   67    59    69    70   1.05000 -1.0 2.0
   67    59    69    73   2.26350  1.0 1.0
   67    59    69    73   0.76750 -1.0 2.0
   67    59    69    73   0.22500  1.0 3.0
   67    71   -77    53   3.62500 -1.0 2.0
   67    71    77    78   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    77   3.62500 -1.0 2.0
   71    77    78    54   1.63200 -1.0 2.0
   72    71    77    53   3.62500 -1.0 2.0
   72    71    77    78   3.62500 -1.0 2.0
   77    53    56    57   3.62500 -1.0 2.0
   77    53   -56    59   3.62500 -1.0 2.0
   77    78   -54    51  -0.32850  1.0 1.0
   77    78   -54    51  -0.35800 -1.0 2.0
   77    78   -54    51   0.33950  1.0 3.0
   77    78    54    55   0.08050  1.0 3.0
   77    78    54    58  -0.25600  1.0 1.0
   77    78    54    58  -0.40050 -1.0 2.0
   77    78    54    58   0.34700  1.0 3.0
   78    54    58    60   0.39000  1.0 1.0
   78    54    58    60  -0.05800 -1.0 2.0
   78    54    58    60  -0.55150  1.0 3.0
   78    54    58    63   0.09700  1.0 1.0
   78    54    58    63   0.15600 -1.0 2.0
   78    54    58    63  -0.50800  1.0 3.0
   54    51    53    56   0.04150 -1.0 2.0
   54    51   -53    77   0.04150 -1.0 2.0
   54    58    60    61   7.00000 -1.0 2.0
   54    58    60    62   7.00000 -1.0 2.0
   54    58    63    64   0.34800  1.0 3.0
   54    58    63    65   0.34800  1.0 3.0
   54    58    63    66   0.34800  1.0 3.0
   55    54    58    60   0.00000  1.0 1.0
   55    54    58    63   0.34800  1.0 3.0
   60    58    63    64   0.00000  1.0 1.0
   60    58    63    65   0.00000  1.0 1.0
   60    58    63    66   0.00000  1.0 1.0
   63    58    60    61   7.00000 -1.0 2.0
   63    58    60    62   7.00000 -1.0 2.0
   69    59    67    68   3.62500 -1.0 2.0
   69    59    67    71   3.62500 -1.0 2.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   0.00000  1.0 1.0
   70    69    73    76   0.00000  1.0 1.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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
   36    30    35    37  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   56    77    53    51   4.00000 -1.0 2.0
   59    57    56    53   1.10000 -1.0 2.0
   67    69    59    56   4.00000 -1.0 2.0
   71    68    67    59   1.10000 -1.0 2.0
   77    72    71    67   1.10000 -1.0 2.0
   71    78    77    53   4.00000 -1.0 2.0
   54    63    58    60  15.00000 -1.0 2.0
   61    62    60    58  15.00000 -1.0 2.0
   59    73    69    70  10.50000 -1.0 2.0
END
