* LIGAND DATABASE FILE (OPLS2005)
*
001      63    64    115    177     334
    1     0 S   NP   _N1_     1    28.94820    93.10158   -21.06425
    2     1 S   H    _HN1     2     1.02832    25.10452   138.90284
    3     1 S   H    _H1_     3     1.02771    88.90422   -81.26160
    4     1 S   H    _H2_     4     1.03114    98.68034    26.89882
    5     1 S   CT   _CA1     5     1.50008   134.97752   157.72765
    6     5 S   HC   _HA1     6     1.09584   105.26217    51.88530
    7     5 S   CO3  _C1_     7     1.53812   112.19273   -68.27439
    8     7 S   O2Z  _O11     8     1.26320   115.12572   -53.45152
    9     7 S   O2Z  _O12     9     1.26245   114.82728   125.76578
   10     5 S   CT   _CB1    10     1.53099   107.45991   169.58595
   11    10 S   HC   HB11    11     1.09820   109.42572   -51.74819
   12    10 S   HC   HB12    12     1.09829   110.49034    64.80263
   13    10 S   CT   _CG1    13     1.53037   112.47183  -172.83596
   14    13 S   HC   HG11    14     1.09602   110.36244   -60.55893
   15    13 S   HC   HG12    15     1.09630   110.12557    58.64920
   16    13 S   C    _CD1    16     1.51737   112.15457   178.97416
   17    16 S   O    _OE1    17     1.22745   123.17544    -8.24326
   18    16 S   N    _N2_    18     1.38642   111.79160   171.96110
   19    18 S   H    _HN2    19     1.01595   119.17540     1.57470
   20    18 S   CT1  _CA2    20     1.46098   123.12951  -177.65540
   21    20 S   HC   _HA2    21     1.09575   109.10650   -13.06273
   22    20 S   C    _C2_    22     1.53381   108.81282  -128.29820
   23    22 S   O    _O2_    23     1.23021   122.13521  -147.62730
   24    20 S   CT   _CB2    32     1.53507   111.73314   109.16733
   25    24 S   HC   HB21    33     1.09657   109.51892    62.67257
   26    24 S   HC   HB22    34     1.09569   110.98004  -179.96044
   27    22 S   N    _N3_    24     1.38481   113.41923    39.99445
   28    27 S   H    _HN3    25     1.01518   118.93264    -0.77405
   29    24 S   S    _SG2    35     1.82856   114.50152   -56.88309
   30    27 S   CT   _CA3    26     1.45444   123.37914   174.50659
   31    30 S   HC   HA31    27     1.09529   109.11487    26.43047
   32    30 S   HC   HA32    28     1.09489   107.14235   143.47702
   33    29 S   CT   _C14    36     1.82312    99.86711   -71.53974
   34    33 S   HC   _H3_    37     1.09471   108.03637   -65.52034
   35    33 S   HC   _H4_    38     1.09359   109.72821    52.11678
   36    30 S   CO3  _C3_    29     1.52964   113.26706   -96.91013
   37    36 S   O2Z  _O31    30     1.26394   115.52057   -40.34496
   38    36 S   O2Z  _O32    31     1.26371   114.89376   140.58087
   39    33 S   CT   _C13    39     1.52990   110.99188   173.57233
   40    39 S   HC   _H27    40     1.10024   110.03145    55.50033
   41    39 S   CT   _C11    41     1.52634   114.24118   -66.83456
   42    41 S   HC   _H24    42     1.09536   112.31901   -37.11903
   43    41 S   HC   _H25    43     1.09468   110.42424    86.49788
   44    41 S   N    _N13    44     1.45107   104.29884  -154.14425
   45    44 S   CA   _C9_    45     1.42645   122.21341  -163.50484
   46    44 S   C    _C10    59     1.41056   111.16467    20.19183
   47    46 S   O    _O14    60     1.22253   129.37045   177.78963
   48    45 S   CA   _C6_    46     1.40132   121.93256   173.07346
   49    48 S   HA   _H22    47     1.08428   122.14639    -1.37131
   50    39 S   CT   _C12    61     1.52818   112.45703   177.66930
   51    50 S   Cl   CL19    62     1.76748   112.20903   -84.51912
   52    50 S   HC   _H26    63     1.09569   112.47791    38.90990
   53    48 S   CA   _C4_    48     1.39845   121.12805   179.97202
   54    53 S   HA   _H20    49     1.08682   119.70201   179.53818
   55    53 S   CA   _C5_    50     1.39114   120.43752    -0.19881
   56    55 S   HA   _H21    51     1.08693   119.25364   179.83214
   57    55 S   CA   _C8_    52     1.39514   119.93556    -0.14537
   58    45 S   CA   _C7_    53     1.40773   120.53052    -6.98202
   59    58 S   HA   _H23    54     1.08796   120.79867    -0.52339
   60    57 S   CT   _C15    55     1.50185   120.94705   179.68784
   61    60 S   F    _F15    56     1.36237   113.69871    13.27980
   62    60 S   F    _F16    57     1.36329   112.64737   133.15706
   63    60 S   F    _F17    58     1.36052   112.42179  -106.98162
  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   7   5   4   3
  12   5   4   2   1   1  11   8  11   5   4  12  12   6   3   8
   4   2   1   1   6   3   8   3   6   5   1   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    41    50  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    50    51    52  
   35    39    40    41    50  
   39    40    41    50  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    52  
   41    42    43    44    46    50    51    52  
   42    43    44    45    48    58    46    47    50    51    52  
   43    44    45    46    50  
   44    45    46    50  
   45    48    49    53    57    58    59    46    47    50    51    52  
   48    49    53    54    55    57    58    59    60    46    47    50  
   47    50    51    52    48    58  
   50    51    52  
   49    53    54    55    56    57    58    59  
   53    54    55    58  
   51    52  
   52  
    0  
   54    55    56    57    58    60  
   55    56    57  
   56    57    58    59    60    61    62    63  
   57    58    60  
   58    59    60    61    62    63  
   59    60    61    62    63  
   60  
   61    62    63  
   62    63  
   63  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   45   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   52   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   62   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   63   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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    50   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   337.000  1.449
   44    45   360.000  1.404
   44    46   490.000  1.335
   45    48   469.000  1.400
   45    58   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   469.000  1.400
   57    60   317.000  1.510
   58    59   367.000  1.080
   60    61   367.000  1.332
   60    62   367.000  1.332
   60    63   367.000  1.332
   46    47   570.000  1.229
   46    50   317.000  1.522
   50    51   245.000  1.781
   50    52   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    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    50    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    44    70.00000  110.72300
   39    50    46    63.00000  111.10000
   39    50    51    69.00000  109.80000
   39    50    52    37.50000  110.70000
   41    39    40    37.50000  110.70000
   41    44    45    70.00000  121.06000
   41    44    46    50.00000  121.90000
   43    41    42    33.00000  107.80000
   44    41    42    35.00000  109.50000
   44    41    43    35.00000  109.50000
   44    45    48    70.00000  119.01900
   44    45    58    70.00000  119.01900
   44    46    47    80.00000  122.90000
   44    46    50    70.00000  116.60000
   45    48    49    35.00000  120.00000
   45    48    53    63.00000  120.00000
   45    58    57    63.00000  120.00000
   45    58    59    35.00000  120.00000
   48    53    54    35.00000  120.00000
   48    53    55    63.00000  120.00000
   53    48    49    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    63.00000  120.00000
   55    57    60    70.00000  120.00000
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  120.00000
   57    60    61    50.00000  109.50000
   57    60    62    50.00000  109.50000
   57    60    63    50.00000  109.50000
   58    45    48    63.00000  120.00000
   60    57    58    70.00000  120.00000
   62    60    61    77.00000  109.10000
   63    60    61    77.00000  109.10000
   63    60    62    77.00000  109.10000
   46    44    45    65.00000  121.96500
   46    50    51    75.00000  109.32700
   46    50    52    35.00000  109.50000
   50    39    40    37.50000  110.70000
   50    39    41    58.35000  112.70000
   50    46    47    80.00000  120.40000
   52    50    51    51.00000  107.60000
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   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    44   0.43900  1.0 1.0
   33    39    41    44   0.49100 -1.0 2.0
   33    39    41    44   0.28400  1.0 3.0
   33    39    50    46  -0.95700  1.0 1.0
   33    39    50    46  -0.18200 -1.0 2.0
   33    39    50    46   0.29450  1.0 3.0
   33    39    50    51   0.35600  1.0 1.0
   33    39    50    51  -0.14650 -1.0 2.0
   33    39    50    51   0.33350  1.0 3.0
   33    39    50    52   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    50   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    50   0.15000  1.0 3.0
   39    41    44    45   0.36200 -1.0 2.0
   39    41   -44    46  -0.43950  1.0 1.0
   39    41   -44    46  -0.08100 -1.0 2.0
   39    41   -44    46   0.03350  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    44   0.15000  1.0 3.0
   40    39    50    46  -0.11250  1.0 3.0
   40    39    50    51   0.27000  1.0 3.0
   40    39    50    52   0.15000  1.0 3.0
   41    39   -50    46  -0.95700  1.0 1.0
   41    39   -50    46  -0.18200 -1.0 2.0
   41    39   -50    46   0.29450  1.0 3.0
   41    39    50    51   0.35600  1.0 1.0
   41    39    50    51  -0.14650 -1.0 2.0
   41    39    50    51   0.33350  1.0 3.0
   41    39    50    52   0.15000  1.0 3.0
   41    44    45    48   0.81400  1.0 1.0
   41    44    45    48   1.55550 -1.0 2.0
   41    44    45    58   0.81400  1.0 1.0
   41    44    45    58   1.55550 -1.0 2.0
   41    44    46    47   3.04450 -1.0 2.0
   41    44   -46    50   1.49850  1.0 1.0
   41    44   -46    50   1.53950 -1.0 2.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    46   0.00000  1.0 1.0
   43    41    44    45   0.00000  1.0 1.0
   43    41    44    46   0.00000  1.0 1.0
   44    45    48    49   3.62500 -1.0 2.0
   44    45    48    53   3.62500 -1.0 2.0
   44    45    58    57   3.62500 -1.0 2.0
   44    45    58    59   3.62500 -1.0 2.0
   44    46   -50    39   1.39750  1.0 1.0
   44    46   -50    39  -0.07950 -1.0 2.0
   44    46   -50    39  -0.18750  1.0 3.0
   44    46    50    51   0.00000  1.0 1.0
   44    46    50    52   0.00000  1.0 1.0
   45    44    46    47   0.04000 -1.0 2.0
   45    44    46    50   0.76000  1.0 1.0
   45    44    46    50   4.11600 -1.0 2.0
   45    48    53    54   3.62500 -1.0 2.0
   45    48    53    55   3.62500 -1.0 2.0
   48    45    58    57   3.62500 -1.0 2.0
   48    45    58    59   3.62500 -1.0 2.0
   48    53    55    56   3.62500 -1.0 2.0
   48    53   -55    57   3.62500 -1.0 2.0
   49    48    53    54   3.62500 -1.0 2.0
   49    48    53    55   3.62500 -1.0 2.0
   53    55    57    58   3.62500 -1.0 2.0
   53    55    57    60   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57   -58    45   3.62500 -1.0 2.0
   55    57    58    59   3.62500 -1.0 2.0
   55    57    60    61   0.00000  1.0 1.0
   55    57    60    62   0.00000  1.0 1.0
   55    57    60    63   0.00000  1.0 1.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   58    45    48    49   3.62500 -1.0 2.0
   58    45   -48    53   3.62500 -1.0 2.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   58    57    60    63   0.00000  1.0 1.0
   60    57    58    45   3.62500 -1.0 2.0
   60    57    58    59   3.62500 -1.0 2.0
   46    44    45    48   1.00100  1.0 1.0
   46    44    45    48   0.85050 -1.0 2.0
   46    44    45    58   1.00100  1.0 1.0
   46    44    45    58   0.85050 -1.0 2.0
   47    46    50    39   0.30150 -1.0 2.0
   47    46    50    51   0.30150 -1.0 2.0
   47    46    50    52   0.00000  1.0 1.0
   50    39    41    42   0.15000  1.0 3.0
   50    39    41    43   0.15000  1.0 3.0
   50    39   -41    44   0.43900  1.0 1.0
   50    39   -41    44   0.49100 -1.0 2.0
   50    39   -41    44   0.28400  1.0 3.0
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
   45    46    44    41   1.00000 -1.0 2.0
   48    58    45    44   4.00000 -1.0 2.0
   53    49    48    45   1.10000 -1.0 2.0
   55    54    53    48   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   58    60    57    55   4.00000 -1.0 2.0
   57    59    58    45   1.10000 -1.0 2.0
   44    50    46    47  10.50000 -1.0 2.0
END
