* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    155    251     458
    1     0 S   NP   _N1_     1    28.06649    93.34460   -21.38862
    2     1 S   H    _HN1     2     1.02833    32.39099   104.98237
    3     1 S   H    _H1_     3     1.02760    85.76414  -121.10745
    4     1 S   H    _H2_     4     1.02949    92.96274   -12.88557
    5     1 S   CT   _CA1     5     1.50119   142.70145   116.90884
    6     5 S   HC   _HA1     6     1.09560   105.27144    52.25633
    7     5 S   CO3  _C1_     7     1.53788   112.22695   -68.10749
    8     7 S   O2Z  _O11     8     1.26382   114.95185   -43.79262
    9     7 S   O2Z  _O12     9     1.26226   114.93418   135.16901
   10     5 S   CT   _CB1    10     1.53008   107.39401   170.33175
   11    10 S   HC   HB11    11     1.09808   109.44366   -48.94952
   12    10 S   HC   HB12    12     1.09793   110.29551    67.76680
   13    10 S   CT   _CG1    13     1.52980   112.79021  -169.98435
   14    13 S   HC   HG11    14     1.09589   110.45421   -61.82270
   15    13 S   HC   HG12    15     1.09623   110.12116    57.55042
   16    13 S   C    _CD1    16     1.51708   111.96032   177.90613
   17    16 S   O    _OE1    17     1.22732   123.31556    -4.65732
   18    16 S   N    _N2_    18     1.38463   112.00881   175.63601
   19    18 S   H    _HN2    19     1.01555   119.31876     4.12882
   20    18 S   CT1  _CA2    20     1.45711   122.33226  -175.66365
   21    20 S   HC   _HA2    21     1.09602   107.83914    35.84870
   22    20 S   C    _C2_    22     1.52761   107.87438   -81.19700
   23    22 S   O    _O2_    23     1.22938   122.99347   -33.31191
   24    20 S   CT   _CB2    32     1.53240   112.15816   158.92720
   25    24 S   HC   HB21    33     1.09662   109.73789    57.87170
   26    24 S   HC   HB22    34     1.09460   111.51251   175.40965
   27    22 S   N    _N3_    24     1.38507   112.39931   149.12129
   28    27 S   H    _HN3    25     1.01661   120.40819    -0.86773
   29    24 S   S    _SG2    35     1.82704   112.91578   -60.99315
   30    27 S   CT   _CA3    26     1.45315   122.53983   179.64392
   31    30 S   HC   HA31    27     1.09550   107.55580   -63.54999
   32    30 S   HC   HA32    28     1.09568   107.88731    52.84405
   33    29 S   CT   _C28    36     1.84641   100.31802   -76.32691
   34    33 S   HC   _H3_    37     1.09000   106.73678    26.83329
   35    30 S   CO3  _C3_    29     1.52879   114.24909   174.84094
   36    35 S   O2Z  _O31    30     1.26332   116.05452     2.32145
   37    35 S   O2Z  _O32    31     1.26422   114.44247  -177.56941
   38    33 S   CA   _C18    38     1.52275   110.63938   -92.90213
   39    33 S   CT   _C27    49     1.54124   109.83470   142.72489
   40    39 S   HC   _H50    50     1.09863   110.07251   167.63008
   41    39 S   HC   _H51    51     1.09691   112.43949    49.38541
   42    38 S   CA   _C12    39     1.41016   119.52826   -67.49633
   43    42 S   HA   _H42    40     1.08819   120.40170     0.18131
   44    39 S   C    _C24    52     1.51886   111.96906   -73.20609
   45    44 S   O    _O30    53     1.22799   122.10709   107.78120
   46    42 S   CA   _C14    41     1.39627   121.50004   179.82983
   47    46 S   HA   _H44    42     1.08675   119.39247  -179.88809
   48    44 S   N    _N28    54     1.38161   112.67540   -71.73004
   49    48 S   H    _H53    55     1.01413   119.94385    -3.76192
   50    46 S   CA   _C20    43     1.39006   119.63346     0.02798
   51    50 S   Cl   CL32    44     1.72158   119.81208  -180.00000
   52    48 S   CT1  _C25    56     1.44945   123.54602   178.56742
   53    52 S   HC   _H46    57     1.09544   107.98314   -28.59976
   54    50 S   CA   _C15    45     1.39244   120.34313     0.03956
   55    54 S   HA   _H45    46     1.08794   119.88700   179.92087
   56    52 S   C    _C23    58     1.52482   109.11731    92.39719
   57    56 S   O    _O29    59     1.23468   121.05845    12.21682
   58    52 S   NI   _N26    83     1.44733   107.90770  -152.28668
   59    38 S   CA   _C21    47     1.40933   122.81589   112.41374
   60    59 S   Cl   CL33    48     1.73127   122.46089     0.47230
   61    56 S   N    _N27    60     1.40373   115.70151  -166.29560
   62    61 S   CA   _C19    61     1.43789   124.30102    -8.07297
   63    61 S   CT   _C26    84     1.46280   117.62025   169.21962
   64    63 S   HC   _H47    85     1.09440   109.00559   -96.87254
   65    63 S   HC   _H48    86     1.09464   110.31521   141.36922
   66    63 S   HC   _H49    87     1.09401   111.17047    21.91502
   67    62 S   CA   _C13    62     1.40981   119.12689   149.40414
   68    67 S   HA   _H43    63     1.08734   121.25360    -1.02374
   69    67 S   CA   _C8_    64     1.39732   121.73262  -178.98664
   70    69 S   HA   _H38    65     1.08638   119.85357   179.38071
   71    69 S   CA   _C7_    66     1.38712   120.03135    -0.05935
   72    71 S   HA   _H37    67     1.08587   120.29673   179.50071
   73    71 S   CA   _C11    68     1.39147   119.58098    -0.99505
   74    73 S   HA   _H41    69     1.08788   118.26973  -179.87333
   75    62 S   CA   _C17    70     1.41048   123.39553   -31.80811
   76    75 S   CD   _C22    71     1.49323   122.73964    -5.03521
   77    76 S   CA   _C16    72     1.49115   119.11623  -134.98604
   78    77 S   CA   _C9_    73     1.40011   119.13271  -138.41096
   79    78 S   HA   _H39    74     1.08711   121.08830     1.19190
   80    78 S   CA   _C5_    75     1.39482   119.78875  -179.43248
   81    80 S   HA   _H35    76     1.08664   119.91110  -179.70326
   82    80 S   CA   _C4_    77     1.39471   120.08431     0.39167
   83    82 S   HA   _H34    78     1.08632   119.89795   179.90721
   84    82 S   CA   _C6_    79     1.39519   120.10907     0.18975
   85    84 S   HA   _H36    80     1.08639   119.89397   179.48414
   86    77 S   CA   _C10    81     1.39931   120.69136    43.11801
   87    86 S   HA   _H40    82     1.08643   121.29580     0.13122
  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   9   5   4   3
  14   7   2   1   1  13   9   4   3   8   4   7   3   6   3   8
   4   5   3  10   5   3   2  11   4   8   1   1  11  14   5   2
   1   1   8   4   6   3   5   3   4   2   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    59    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    54    59    60    39    40    41    44    45    48  
   38    42    59    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    50    54    55    59    60    39    40    41    44  
   40    41    44    45    48    49    52    42    59  
   41    44    45    48  
   44    45    48  
   43    46    47    50    51    54    59    60  
   46    47    50    59  
   45    48    49    52    53    56    58  
   48    49    52  
   47    50    51    54    55    59  
   50    51    54  
   49    52    53    56    57    61    76    58  
   52    53    56    58  
   51    54    55    59    60  
   54    55    59  
   53    56    57    61    62    75    76    77    58    63  
   56    57    61    76    58  
   55    59    60  
   59    60  
   57    61    62    67    75    76    58    63    64    65    66  
   61    62    58    63  
   61    62    73    75    76    77    78    86  
   60  
    0  
   62    67    68    69    73    75    76    63    64    65    66  
   67    68    69    70    71    73    74    75    76    77    63    64    65    66  
   64    65    66    67    75  
   65    66  
   66  
    0  
   68    69    70    71    72    73    75    76  
   69    70    71    75  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75    76  
   73    74    75  
   74    75    76    77  
   75    76  
   76    77    78    86  
   77    78    79    80    84    86    87  
   78    79    80    81    82    84    85    86    87  
   79    80    81    82    83    84    86    87  
   80    81    82    86  
   81    82    83    84    85    86  
   82    83    84  
   83    84    85    86    87  
   84    85    86  
   85    86    87  
   86    87  
   87  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   52   3.5000   0.0660   0.262500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   59   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   61   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   62   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.004400   2.5000   1.7750   0.001000000  -0.843144165
   76   3.7500   0.1050   0.380900   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0700   0.004400   2.5000   1.7750   0.001000000  -0.843144165
   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   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   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   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    59   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   300.000  1.725
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   300.000  1.725
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    49   434.000  1.010
   48    52   337.000  1.449
   52    53   340.000  1.090
   52    56   317.000  1.522
   52    58   315.000  1.431
   56    57   570.000  1.229
   56    61   490.000  1.335
   61    62   360.000  1.404
   61    63   337.000  1.449
   62    67   469.000  1.400
   62    75   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   305.000  1.466
   76    77   305.000  1.466
   76    58   500.000  1.261
   77    78   469.000  1.400
   77    86   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   367.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    59    54    63.00000  120.00000
   38    59    60    75.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    50    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    50    51    75.00000  120.00000
   46    50    54    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    59    63.00000  120.00000
   54    50    51    75.00000  120.00000
   54    59    60    75.00000  120.00000
   59    38    42    63.00000  120.00000
   59    54    55    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    70.00000  116.60000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    49    35.00000  119.80000
   44    48    52    50.00000  121.90000
   48    44    45    80.00000  122.90000
   48    52    53    35.00000  109.50000
   48    52    56    63.00000  110.10000
   48    52    58    85.00000  109.00000
   52    48    49    38.00000  118.40000
   52    56    57    80.00000  120.40000
   52    56    61    70.00000  116.60000
   52    58    76    75.00000  114.96100
   56    52    53    35.00000  109.50000
   56    61    62    65.00000  121.96500
   56    61    63    50.00000  121.90000
   61    56    57    80.00000  122.90000
   61    62    67    70.00000  119.01900
   61    62    75    70.00000  119.01900
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    35.00000  109.50000
   62    67    68    35.00000  120.00000
   62    67    69    63.00000  120.00000
   62    75    73    63.00000  120.00000
   62    75    76    60.00000  121.09900
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    60.00000  121.09900
   75    62    67    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    65.00000  125.00000
   75    76    58    65.00000  124.33800
   76    77    78    60.00000  118.70000
   76    77    86    60.00000  118.70000
   77    78    79    35.00000  120.00000
   77    78    80    63.00000  120.00000
   77    86    84    63.00000  120.00000
   77    86    87    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    35.00000  120.00000
   80    82    84    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    84    85    35.00000  120.00000
   82    84    86    63.00000  120.00000
   84    82    83    35.00000  120.00000
   84    86    87    35.00000  120.00000
   86    77    78    63.00000  120.00000
   86    84    85    35.00000  120.00000
   58    52    53    45.00000  110.38000
   58    52    56    80.00000  108.92000
   58    76    77    65.00000  125.00000
   63    61    62    70.00000  121.06000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    59    54   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   1.39750  1.0 1.0
   33    39    44    48  -0.07950 -1.0 2.0
   33    39    44    48  -0.18750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    50   3.62500 -1.0 2.0
   42    38    59    54   3.62500 -1.0 2.0
   42    38    59    60   3.62500 -1.0 2.0
   42    46    50    51   3.62500 -1.0 2.0
   42    46   -50    54   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    50   3.62500 -1.0 2.0
   46    50    54    55   3.62500 -1.0 2.0
   46    50    54    59   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    54   -59    38   3.62500 -1.0 2.0
   50    54    59    60   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    59   3.62500 -1.0 2.0
   55    54    59    38   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   59    38    42    43   3.62500 -1.0 2.0
   59    38   -42    46   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    59   0.04150 -1.0 2.0
   39    44    48    49   2.45000 -1.0 2.0
   39    44    48    52   1.15000  1.0 1.0
   39    44    48    52   3.04450 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    52    53   0.00000  1.0 1.0
   44    48    52    56  -0.29800  1.0 1.0
   44    48    52    56   0.13950 -1.0 2.0
   44    48    52    56  -2.45650  1.0 3.0
   44    48    52    58  -0.42300  1.0 1.0
   44    48    52    58  -0.07000 -1.0 2.0
   44    48    52    58   0.04150  1.0 3.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    52   3.04450 -1.0 2.0
   48    52    56    57   0.00000  1.0 1.0
   48    52    56    61   0.37150  1.0 1.0
   48    52    56    61   1.25400 -1.0 2.0
   48    52    56    61  -0.40250  1.0 3.0
   48    52    58    76  -0.12500  1.0 1.0
   48    52    58    76  -0.12500 -1.0 2.0
   48    52    58    76   0.25000  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    56   0.00000  1.0 1.0
   49    48    52    58   0.00000  1.0 1.0
   52    56    61    62   0.76000  1.0 1.0
   52    56    61    62   4.11600 -1.0 2.0
   52    56    61    63   1.15000  1.0 1.0
   52    56    61    63   3.04450 -1.0 2.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    61   0.00000  1.0 1.0
   53    52    58    76  -0.15000  1.0 3.0
   56    52    58    76  -0.12500  1.0 1.0
   56    52    58    76  -0.12500 -1.0 2.0
   56    52    58    76   0.25000  1.0 3.0
   56    61    62    67   1.00100  1.0 1.0
   56    61    62    67   0.85050 -1.0 2.0
   56    61    62    75   1.00100  1.0 1.0
   56    61    62    75   0.85050 -1.0 2.0
   56    61    63    64   0.00000  1.0 1.0
   56    61    63    65   0.00000  1.0 1.0
   56    61    63    66   0.00000  1.0 1.0
   57    56    61    62   0.04000 -1.0 2.0
   57    56    61    63   3.04450 -1.0 2.0
   61    62    67    68   3.62500 -1.0 2.0
   61    62    67    69   3.62500 -1.0 2.0
   61    62    75    73   3.62500 -1.0 2.0
   61    62    75    76   3.62500 -1.0 2.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    66   0.00000  1.0 1.0
   62    67    69    70   3.62500 -1.0 2.0
   62    67    69    71   3.62500 -1.0 2.0
   62    75    76    77   0.30050 -1.0 2.0
   62    75    76    77   0.16600  1.0 3.0
   62    75    76    58   1.02250 -1.0 2.0
   67    62    75    73   3.62500 -1.0 2.0
   67    62    75    76   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69   -71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73   -75    62   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   0.30050 -1.0 2.0
   73    75    76    77   0.16600  1.0 3.0
   73    75    76    58   1.02250 -1.0 2.0
   74    73    75    62   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    62    67    68   3.62500 -1.0 2.0
   75    62   -67    69   3.62500 -1.0 2.0
   75    76    77    78   0.30050 -1.0 2.0
   75    76    77    78   0.16600  1.0 3.0
   75    76    77    86   0.30050 -1.0 2.0
   75    76    77    86   0.16600  1.0 3.0
   75    76    58    52   6.00000 -1.0 2.0
   76    77    78    79   3.62500 -1.0 2.0
   76    77    78    80   3.62500 -1.0 2.0
   76    77    86    84   3.62500 -1.0 2.0
   76    77    86    87   3.62500 -1.0 2.0
   77    76    58    52   6.00000 -1.0 2.0
   77    78    80    81   3.62500 -1.0 2.0
   77    78    80    82   3.62500 -1.0 2.0
   78    77    86    84   3.62500 -1.0 2.0
   78    77    86    87   3.62500 -1.0 2.0
   78    80    82    83   3.62500 -1.0 2.0
   78    80   -82    84   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    82    84    85   3.62500 -1.0 2.0
   80    82    84    86   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   82    84   -86    77   3.62500 -1.0 2.0
   82    84    86    87   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    86   3.62500 -1.0 2.0
   85    84    86    77   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   86    77    78    79   3.62500 -1.0 2.0
   86    77   -78    80   3.62500 -1.0 2.0
   58    52    56    57   0.30150 -1.0 2.0
   58    52    56    61   0.00000  1.0 1.0
   58    76    77    78   1.02250 -1.0 2.0
   58    76    77    86   1.02250 -1.0 2.0
   63    61    62    67   0.81400  1.0 1.0
   63    61    62    67   1.55550 -1.0 2.0
   63    61    62    75   0.81400  1.0 1.0
   63    61    62    75   1.55550 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    59    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
   54    51    50    46   4.00000 -1.0 2.0
   59    55    54    50   1.10000 -1.0 2.0
   54    60    59    38   4.00000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   49    44    48    52   1.00000 -1.0 2.0
   52    61    56    57  10.50000 -1.0 2.0
   63    56    61    62   1.00000 -1.0 2.0
   67    75    62    61   4.00000 -1.0 2.0
   69    68    67    62   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    76    75    62   4.00000 -1.0 2.0
   75    77    76    58  10.50000 -1.0 2.0
   78    86    77    76   4.00000 -1.0 2.0
   80    79    78    77   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   86    85    84    82   1.10000 -1.0 2.0
   84    87    86    77   1.10000 -1.0 2.0
END
