* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    151    223     428
    1     0 S   NP   _N1_     1    29.71696   100.45788   -25.64510
    2     1 S   H    _HN1     2     1.02885    38.87202    28.23046
    3     1 S   H    _H1_     3     1.02907    69.67532  -166.03484
    4     1 S   H    _H2_     4     1.02830   111.33188   -64.36924
    5     1 S   CT   _CA1     5     1.50391   134.01244    94.71324
    6     5 S   HC   _HA1     6     1.09694   104.69855   142.91008
    7     5 S   CO3  _C1_     7     1.53986   110.95221    26.14402
    8     7 S   O2Z  _O11     8     1.26041   116.42649   -98.18497
    9     7 S   O2Z  _O12     9     1.26505   114.08911    80.18579
   10     5 S   CT   _CB1    10     1.53067   107.03799  -101.27341
   11    10 S   HC   HB11    11     1.09855   109.14124   -48.35928
   12    10 S   HC   HB12    12     1.09770   110.74932    68.11006
   13    10 S   CT   _CG1    13     1.53095   112.49640  -169.02702
   14    13 S   HC   HG11    14     1.09457   110.98462   -69.00438
   15    13 S   HC   HG12    15     1.09675   109.66367    50.18600
   16    13 S   C    _CD1    16     1.51835   111.86527   169.99449
   17    16 S   O    _OE1    17     1.22786   123.14317     8.89969
   18    16 S   N    _N2_    18     1.38631   112.03400  -170.44764
   19    18 S   H    _HN2    19     1.01606   118.96864     0.01978
   20    18 S   CT1  _CA2    20     1.45914   122.38810   170.20024
   21    20 S   HC   _HA2    21     1.09666   110.29918    20.24891
   22    20 S   C    _C2_    22     1.52807   103.92522   -96.55956
   23    22 S   O    _O2_    23     1.22998   122.52372   -85.33474
   24    20 S   CT   _CB2    32     1.52983   112.21602   144.46135
   25    24 S   HC   HB21    33     1.09578   110.88622    45.25158
   26    24 S   HC   HB22    34     1.09545   109.70051   164.59827
   27    22 S   N    _N3_    24     1.38450   112.94252    90.24907
   28    27 S   H    _HN3    25     1.01700   120.18653     0.93167
   29    24 S   S    _SG2    35     1.82349   111.19686   -76.00508
   30    27 S   CT   _CA3    26     1.45328   122.50197  -177.65966
   31    30 S   HC   HA31    27     1.09559   107.54770   -62.49850
   32    30 S   HC   HA32    28     1.09574   107.86194    53.81437
   33    29 S   CT   _C25    36     1.83137    98.62883   178.46992
   34    33 S   F    _F34    37     1.36357   108.57211   -61.41913
   35    33 S   F    _F35    38     1.36856   107.87473    50.89357
   36    30 S   CO3  _C3_    29     1.52875   114.40384   175.74402
   37    36 S   O2Z  _O31    30     1.26319   116.11425     0.58651
   38    36 S   O2Z  _O32    31     1.26443   114.38150  -179.34449
   39    33 S   CA   _C14    39     1.51837   111.15828   173.28744
   40    39 S   CA   _C10    40     1.41181   117.41524   -91.60397
   41    40 S   HA   _H46    41     1.08973   119.35347    -0.53959
   42    40 S   CA   _C12    42     1.40048   121.91657   179.26352
   43    42 S   CA   _C6_    43     1.39358   118.81762     0.64102
   44    43 S   HA   _H42    44     1.08731   120.58595   179.39964
   45    42 S   CT   _C24    84     1.50148   120.41359   178.89359
   46    45 S   F    _F31    85     1.36229   113.38150   154.96428
   47    45 S   F    _F32    86     1.36144   112.27673   -85.02916
   48    45 S   F    _F33    87     1.36236   113.11810    34.81278
   49    43 S   CA   _C7_    45     1.39489   120.24568    -0.97839
   50    49 S   HA   _H43    46     1.08834   118.39335  -178.96883
   51    39 S   CA   _C13    47     1.41252   123.93887    87.70507
   52    51 S   CT   _C23    48     1.51167   123.37991    -1.39858
   53    52 S   HC   _H51    49     1.09428   110.01876    48.10012
   54    52 S   HC   _H52    50     1.09767   109.85036   166.41996
   55    52 S   OS   _O30    51     1.42358   107.72002   -74.21610
   56    55 S   CA   _C15    52     1.37139   118.06834   178.83400
   57    56 S   CA   _C8_    53     1.39832   124.65015    -1.79002
   58    57 S   HA   _H44    54     1.08535   122.02549    -0.03426
   59    57 S   CA   _C5_    55     1.39585   120.30415   179.90935
   60    59 S   HA   _H41    56     1.08772   119.11095  -179.97202
   61    59 S   CA   _C11    57     1.39618   120.24803     0.11703
   62    61 S   CA   _C9_    58     1.40091   119.70257    -0.25793
   63    62 S   HA   _H45    59     1.08616   118.53513  -179.73830
   64    61 S   CM   _C19    66     1.46779   119.69050   179.90109
   65    64 S   HC   _H47    67     1.08795   114.14525    77.90209
   66    56 S   CA   _C16    60     1.40829   115.62854   178.00178
   67    64 S   CM   _C20    68     1.34548   124.64795  -102.17317
   68    66 S   OS   _O29    61     1.37362   115.77266     0.05234
   69    67 S   CZ   _C4_    69     1.42577   122.78253     1.60303
   70    69 S   NZ   _N24    70     1.16067   179.40422   115.20039
   71    67 S   C    _C21    71     1.50037   116.35339   179.33618
   72    71 S   O    _O28    72     1.22898   120.61915   -32.19534
   73    68 S   CT   _C22    62     1.42187   117.43950  -174.41194
   74    73 S   HC   _H48    63     1.09425   107.71860   176.70016
   75    73 S   HC   _H49    64     1.09497   111.27123    58.89048
   76    73 S   HC   _H50    65     1.09333   111.12294   -65.70881
   77    71 S   N    _N27    73     1.38379   113.30189   147.47845
   78    77 S   H    _H53    74     1.01825   122.08678    -5.08373
   79    77 S   CRA  _C18    75     1.37509   121.18462   177.51218
   80    79 S   N5B  _N26    76     1.31267   129.89474    -1.40848
   81    80 S   N5B  _N25    77     1.38304   111.62340  -179.84423
   82    81 S   CRA  _C17    78     1.31793   112.13080     0.09691
   83    79 S   SA   _S40    79     1.70611   115.06269   178.94445
   84    82 S   CT   _C26    80     1.48057   125.29929  -180.00000
   85    84 S   F    _F36    81     1.35801   112.05481    -0.10279
   86    84 S   F    _F37    82     1.35776   112.11805   119.75332
   87    84 S   F    _F38    83     1.35778   112.11120  -119.94558
  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   6   5   4   3
   9   4   3   2   1   1  12  11   4   9   9   4   4   2   1   1
   6   2   5   6   3   2   7  10   8   4   8   3   9   7   3   8
   3   5   7   4   4   1   6   3   3   2   1   1   6   3   5   4
   6   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    49    51    52  
   35    39    40    51  
   39    40    51  
   37    38  
   38  
    0  
   40    41    42    43    49    50    51    52    53    54    55    45  
   41    42    43    44    49    51    52    45    46    47    48  
   42    43    51    45  
   43    44    49    50    51    45    46    47    48  
   44    49    50    51    52    45    46    47    48  
   49    50    51    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    55  
   51    52  
   52    53    54    55    56  
   53    54    55    56    57    66  
   54    55    56  
   55    56  
   56    57    58    59    62    66    68  
   57    58    59    60    61    62    63    66    68    73  
   58    59    60    61    62    66    68    64  
   59    60    61    66  
   60    61    62    63    66    64    65    67  
   61    62    64  
   62    63    66    68    64    65    67    69    71  
   63    66    68    73    64    65    67  
   66    68    64  
   65    67    69    70    71    72    77    66  
   67    69    71  
   68    73    74    75    76  
   69    70    71    72    77    78    79  
   73    74    75    76  
   70    71    72    77  
   71  
   72    77    78    79    80    83  
   77    78    79  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81    82    83  
   79    80    83  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87  
   83    84    85    86    87  
   84    85    86    87  
   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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   47   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   48   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.181800   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   68   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   70   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   71   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   78   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   79   3.5500   0.0700   0.428700   2.0020   1.7750   0.001000000  -0.843144165
   80   3.2800   0.1700  -0.312600   1.8650   1.6500   0.001000000  -0.511443539
   81   3.2800   0.1700  -0.312600   1.8650   1.6500   0.001000000  -0.511443539
   82   3.5500   0.0700   0.228700   2.0020   1.7750   0.001000000  -0.843144165
   83   3.5600   0.3950  -0.062200   2.0080   1.7800   0.025682759  -1.666211680
   84   3.2500   0.0620   0.715000   2.4950   1.7500   0.005000000  -0.741685710
   85   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   86   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   87   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    51   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   469.000  1.400
   42    45   317.000  1.510
   43    44   367.000  1.080
   43    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   320.000  1.410
   55    56   450.000  1.364
   56    57   469.000  1.400
   56    66   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   469.000  1.400
   61    64   320.000  1.460
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    68   450.000  1.364
   68    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   64    65   340.000  1.080
   64    67   549.000  1.340
   67    69   400.000  1.423
   67    71   410.000  1.444
   69    70   650.000  1.157
   71    72   570.000  1.229
   71    77   490.000  1.335
   77    78   434.000  1.010
   77    79   360.000  1.404
   79    80   488.000  1.335
   79    83   250.000  1.765
   80    81   290.000  1.379
   81    82   488.000  1.335
   82    83   250.000  1.765
   82    84   295.000  1.488
   84    85   367.000  1.332
   84    86   367.000  1.332
   84    87   367.000  1.332
   45    46   367.000  1.332
   45    47   367.000  1.332
   45    48   367.000  1.332
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    51    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    51    49    63.00000  120.00000
   39    51    52    70.00000  120.00000
   40    42    43    63.00000  120.00000
   40    42    45    70.00000  120.00000
   42    40    41    35.00000  120.00000
   42    43    44    35.00000  120.00000
   42    43    49    63.00000  120.00000
   42    45    46    50.00000  109.50000
   42    45    47    50.00000  109.50000
   42    45    48    50.00000  109.50000
   43    49    50    35.00000  120.00000
   43    49    51    63.00000  120.00000
   49    43    44    35.00000  120.00000
   49    51    52    70.00000  120.00000
   51    39    40    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    52    53    35.00000  109.50000
   51    52    54    35.00000  109.50000
   51    52    55    85.00000  111.85700
   52    55    56    75.00000  111.00000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    56    57    70.00000  120.00000
   55    56    66    70.00000  120.00000
   56    57    58    35.00000  120.00000
   56    57    59    63.00000  120.00000
   56    66    62    63.00000  120.00000
   56    66    68    70.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    63.00000  120.00000
   59    61    64    60.00000  120.93500
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    40.00000  117.26300
   61    64    67    60.00000  123.20500
   62    66    68    70.00000  120.00000
   66    56    57    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    68    73    75.00000  111.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   64    61    62    60.00000  120.93500
   64    67    69    65.00000  121.28400
   64    67    71    70.00000  118.70000
   67    64    65    35.00000  120.00000
   67    69    70    35.00000  179.19300
   67    71    72    80.00000  125.30000
   67    71    77    80.00000  111.56200
   71    67    69    70.00000  115.44000
   71    77    78    35.00000  119.80000
   71    77    79    65.00000  121.96500
   77    71    72    80.00000  122.90000
   77    79    80    70.00000  120.00000
   77    79    83    70.00000  123.00000
   79    77    78    45.00000  118.23600
   79    80    81   100.00000  108.10500
   79    83    82   125.00000   85.95600
   80    81    82   100.00000  108.10500
   81    82    83    80.00000  114.57700
   81    82    84    65.00000  125.57700
   82    84    85    85.00000  110.61800
   82    84    86    85.00000  110.61800
   82    84    87    85.00000  110.61800
   83    79    80    80.00000  114.57700
   84    82    83    65.00000  125.49400
   86    84    85    77.00000  109.10000
   87    84    85    77.00000  109.10000
   87    84    86    77.00000  109.10000
   45    42    43    70.00000  120.00000
   47    45    46    77.00000  109.10000
   48    45    46    77.00000  109.10000
   48    45    47    77.00000  109.10000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    51  -0.16000  1.0 1.0
   29    33    39    51  -0.03200 -1.0 2.0
   29    33    39    51   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    51    49   3.62500 -1.0 2.0
   33    39    51    52   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    51   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    51   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    45   3.62500 -1.0 2.0
   39    51    52    53   0.00000  1.0 1.0
   39    51    52    54   0.00000  1.0 1.0
   39    51    52    55   0.64500  1.0 1.0
   39    51    52    55   0.14800 -1.0 2.0
   39    51    52    55   0.20650  1.0 3.0
   40    39    51    49   3.62500 -1.0 2.0
   40    39    51    52   3.62500 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42   -43    49   3.62500 -1.0 2.0
   40    42    45    46   0.00000  1.0 1.0
   40    42    45    47   0.00000  1.0 1.0
   40    42    45    48   0.00000  1.0 1.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    45   3.62500 -1.0 2.0
   42    43    49    50   3.62500 -1.0 2.0
   42    43    49    51   3.62500 -1.0 2.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   43    42    45    48   0.00000  1.0 1.0
   43    49   -51    39   3.62500 -1.0 2.0
   43    49    51    52   3.62500 -1.0 2.0
   44    43    49    50   3.62500 -1.0 2.0
   44    43    49    51   3.62500 -1.0 2.0
   49    51    52    53   0.00000  1.0 1.0
   49    51    52    54   0.00000  1.0 1.0
   49    51    52    55   0.64500  1.0 1.0
   49    51    52    55   0.14800 -1.0 2.0
   49    51    52    55   0.20650  1.0 3.0
   50    49    51    39   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   51    39    40    41   3.62500 -1.0 2.0
   51    39   -40    42   3.62500 -1.0 2.0
   51    52    55    56  -0.50150  1.0 1.0
   51    52    55    56  -0.23050 -1.0 2.0
   51    52    55    56   0.70600  1.0 3.0
   52    55    56    57   1.63200 -1.0 2.0
   52    55    56    66   1.63200 -1.0 2.0
   53    52    55    56   0.08050  1.0 3.0
   54    52    55    56   0.08050  1.0 3.0
   55    56    57    58   3.62500 -1.0 2.0
   55    56    57    59   3.62500 -1.0 2.0
   55    56    66    62   3.62500 -1.0 2.0
   55    56    66    68   3.62500 -1.0 2.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    61   3.62500 -1.0 2.0
   56    66    68    73   1.63200 -1.0 2.0
   57    56    66    62   3.62500 -1.0 2.0
   57    56    66    68   3.62500 -1.0 2.0
   57    59   -61    62   3.62500 -1.0 2.0
   57    59    61    64   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61    62    66   3.62500 -1.0 2.0
   59    61    64    65   0.56550  1.0 3.0
   59    61    64    67   0.15800  1.0 1.0
   59    61    64    67   1.85350 -1.0 2.0
   59    61    64    67  -0.48700  1.0 3.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    64   3.62500 -1.0 2.0
   61    62   -66    56   3.62500 -1.0 2.0
   61    62    66    68   3.62500 -1.0 2.0
   61    64    67    69   7.00000 -1.0 2.0
   61    64    67    71   7.00000 -1.0 2.0
   62    61    64    65   0.56550  1.0 3.0
   62    61    64    67   0.15800  1.0 1.0
   62    61    64    67   1.85350 -1.0 2.0
   62    61    64    67  -0.48700  1.0 3.0
   62    66    68    73   1.63200 -1.0 2.0
   63    62    66    56   3.62500 -1.0 2.0
   63    62    66    68   3.62500 -1.0 2.0
   66    56    57    58   3.62500 -1.0 2.0
   66    56   -57    59   3.62500 -1.0 2.0
   66    68    73    74   0.08050  1.0 3.0
   66    68    73    75   0.08050  1.0 3.0
   66    68    73    76   0.08050  1.0 3.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -1.0 2.0
   64    67    69    70   0.00000  1.0 1.0
   64    67    71    72   1.00000 -1.0 2.0
   64    67    71    77   0.49500  1.0 1.0
   64    67    71    77   1.31600 -1.0 2.0
   64    67    71    77  -0.02300  1.0 3.0
   65    64    67    69   7.00000 -1.0 2.0
   65    64    67    71   7.00000 -1.0 2.0
   67    71    77    78   2.56700 -1.0 2.0
   67    71    77    79   0.76000  1.0 1.0
   67    71    77    79   4.11600 -1.0 2.0
   69    67    71    72  -0.52200  1.0 1.0
   69    67    71    72   0.82950 -1.0 2.0
   69    67    71    77   1.50000 -1.0 2.0
   71    67    69    70   0.00000  1.0 1.0
   71    77    79    80   0.96250 -1.0 2.0
   71    77    79    83   0.96250 -1.0 2.0
   72    71    77    78   2.45000 -1.0 2.0
   72    71    77    79   0.04000 -1.0 2.0
   77    79    80    81   3.62500 -1.0 2.0
   77    79    83    82   3.62500 -1.0 2.0
   78    77    79    80   0.96250 -1.0 2.0
   78    77    79    83   0.96250 -1.0 2.0
   79    80   -81    82   3.62500 -1.0 2.0
   80    79   -83    82   3.62500 -1.0 2.0
   80    81   -82    83   3.62500 -1.0 2.0
   80    81    82    84   3.62500 -1.0 2.0
   81    82   -83    79   3.62500 -1.0 2.0
   81    82    84    85   0.21350  1.0 3.0
   81    82    84    86   0.21350  1.0 3.0
   81    82    84    87   0.21350  1.0 3.0
   83    79   -80    81   3.62500 -1.0 2.0
   83    82    84    85   0.04300 -1.0 2.0
   83    82    84    86   0.04300 -1.0 2.0
   83    82    84    87   0.04300 -1.0 2.0
   84    82    83    79   3.62500 -1.0 2.0
   45    42    43    44   3.62500 -1.0 2.0
   45    42    43    49   3.62500 -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
   38    30    36    37  10.50000 -1.0 2.0
   40    51    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   43    45    42    40   4.00000 -1.0 2.0
   49    44    43    42   1.10000 -1.0 2.0
   51    50    49    43   1.10000 -1.0 2.0
   49    52    51    39   4.00000 -1.0 2.0
   57    66    56    55   4.00000 -1.0 2.0
   59    58    57    56   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   62    64    61    59   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   62    68    66    56   4.00000 -1.0 2.0
   61    65    64    67  15.00000 -1.0 2.0
   69    71    67    64  15.00000 -1.0 2.0
   67    77    71    72  10.50000 -1.0 2.0
   78    71    77    79   1.00000 -1.0 2.0
   80    83    79    77   4.00000 -1.0 2.0
   84    83    82    81   4.00000 -1.0 2.0
END
