* LIGAND DATABASE FILE (OPLS2005)
*
001      54    54     96    150     288
    1     0 S   NP   _N1_     1    28.40977    96.24829   -20.62288
    2     1 S   H    _HN1     2     1.02957    75.96595   -14.70708
    3     1 S   H    _H1_     3     1.02835    42.54774   121.28291
    4     1 S   H    _H2_     4     1.02776    91.32153  -123.28868
    5     1 S   CT   _CA1     5     1.50129   150.72829    92.05796
    6     5 S   HC   _HA1     6     1.09575   105.21257    79.84053
    7     5 S   CO3  _C1_     7     1.53784   112.37483   -40.34461
    8     7 S   O2Z  _O11     8     1.26365   114.99484   -43.66058
    9     7 S   O2Z  _O12     9     1.26236   114.93260   135.43872
   10     5 S   CT   _CB1    10     1.53096   107.42149  -162.25083
   11    10 S   HC   HB11    11     1.09827   109.32174   -50.52624
   12    10 S   HC   HB12    12     1.09816   110.43098    66.02875
   13    10 S   CT   _CG1    13     1.53016   112.67281  -171.59907
   14    13 S   HC   HG11    14     1.09595   110.49178   -64.60484
   15    13 S   HC   HG12    15     1.09658   109.91449    54.59268
   16    13 S   C    _CD1    16     1.51841   112.32555   174.95741
   17    16 S   O    _OE1    17     1.22750   123.29223     0.52489
   18    16 S   N    _N2_    18     1.38536   111.69466  -179.44857
   19    18 S   H    _HN2    19     1.01562   119.06520     4.30339
   20    18 S   CT1  _CA2    20     1.45879   122.93569   177.97590
   21    20 S   HC   _HA2    21     1.09726   108.91813    24.39420
   22    20 S   C    _C2_    22     1.52909   106.85972   -92.66944
   23    22 S   O    _O2_    23     1.22993   123.00341   -28.75107
   24    20 S   CT   _CB2    32     1.53225   112.05298   147.57615
   25    24 S   HC   HB21    33     1.09426   109.78176    54.42867
   26    24 S   HC   HB22    34     1.09505   109.98088   172.97636
   27    22 S   N    _N3_    24     1.38497   112.62460   153.73639
   28    27 S   H    _HN3    25     1.01655   120.35549    -1.11118
   29    24 S   S    _SG2    35     1.83104   110.61522   -67.49516
   30    27 S   CT   _CA3    26     1.45358   122.43488   178.83098
   31    30 S   HC   HA31    27     1.09564   107.57478   -61.39616
   32    30 S   HC   HA32    28     1.09569   107.82253    54.90836
   33    29 S   CT   _C9_    36     1.85399   101.56952   164.74303
   34    30 S   CO3  _C3_    29     1.52887   114.40532   176.89512
   35    34 S   O2Z  _O31    30     1.26327   116.09876     0.69323
   36    34 S   O2Z  _O32    31     1.26452   114.40040  -179.26778
   37    33 S   CM   _C8_    37     1.50927   111.47195    48.67492
   38    37 S   HC   _H7_    38     1.09120   116.62980    41.85795
   39    33 S   CO3  _C10    52     1.56343   101.07758   163.69245
   40    39 S   O2Z  _O34    53     1.26686   115.73687   105.30257
   41    39 S   O2Z  _O33    54     1.26755   116.54297   -74.71362
   42    37 S   CMA  _C7_    39     1.35145   125.70286  -136.66070
   43    42 S   OM   _O35    40     1.26386   128.99862   176.54577
   44    42 S   CT   _C6_    41     1.53744   119.04895    -3.08572
   45    44 S   HC   _H4_    42     1.09952   109.06419   111.05497
   46    44 S   CT   _C5_    43     1.53744   114.78279   -11.61391
   47    46 S   HC   _H3_    44     1.09674   110.24033   -80.93429
   48    44 S   OH   _O36    50     1.43871   110.93504  -132.28582
   49    48 S   HO   _H8_    51     0.97396   105.90845   -34.90760
   50    33 S   CT   _C4_    45     1.53378   108.92153   -76.05138
   51    50 S   HC   _H5_    46     1.09793   111.98693    48.48175
   52    50 S   HC   _H6_    47     1.09796   112.07508   -68.76335
   53    46 S   OH   _O37    48     1.43081   108.84073   162.29407
   54    53 S   HO   _H9_    49     0.97241   107.09628   176.83857
  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  11   5   4   3
  14   2   1   1  13   5   7   2   1   9   4  10   6   8   6   3
   1   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    50    51    52    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    50    51    52    53    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    45    46    50    51    52    48    39    40    41  
   42    43    44    50    39  
   40    41    42    46    50    51    52  
   41    50  
   50  
   43    44    45    46    47    50    53    48    49  
   44    45    46    48  
   45    46    47    50    51    52    53    54    48    49  
   46    47    50    53    48    49  
   47    50    51    52    53    54    48    49  
   50    51    52    53    54    48  
   49    50    53  
    0  
   51    52    53    54  
   52    53  
   53  
   54  
    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   0.067500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    50   268.000  1.529
   33    39   317.000  1.522
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   320.000  1.410
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    53   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   53    54   553.000  0.945
   48    49   553.000  0.945
   39    40   656.000  1.250
   39    41   656.000  1.250
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    70.00000  116.78000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    46    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    52    37.50000  110.70000
   33    39    40    70.00000  117.00000
   33    39    41    70.00000  117.00000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    70.00000  112.02700
   42    44    48    90.00000  110.39200
   44    42    43    85.00000  112.85300
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    46    53    50.00000  109.50000
   44    48    49    55.00000  108.50000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    53    54    55.00000  108.50000
   50    33    37    70.00000  112.02700
   50    46    47    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    46    47    35.00000  109.50000
   53    46    50    50.00000  109.50000
   48    44    45    35.00000  109.50000
   48    44    46    50.00000  109.50000
   39    33    37    65.00000  111.94000
   39    33    50    70.00000  109.69300
   41    39    40    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.15000  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.30150 -1.0 2.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   37    33    50    46   0.34400  1.0 1.0
   37    33    50    46   0.09450 -1.0 2.0
   37    33    50    46   0.11100  1.0 3.0
   37    33    50    51   0.15000  1.0 3.0
   37    33    50    52   0.15000  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    41   0.30150 -1.0 2.0
   37    42    44    45   0.00000  1.0 1.0
   37    42   -44    46   0.09850  1.0 1.0
   37    42   -44    46   0.15250 -1.0 2.0
   37    42   -44    46  -0.50650  1.0 3.0
   37    42    44    48   0.67800  1.0 1.0
   37    42    44    48   0.47050 -1.0 2.0
   37    42    44    48  -0.62500  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    46    47   0.15000  1.0 3.0
   42    44    46    50   0.34400  1.0 1.0
   42    44    46    50   0.09450 -1.0 2.0
   42    44    46    50   0.11100  1.0 3.0
   42    44    46    53   1.05650  1.0 1.0
   42    44    46    53   0.15600 -1.0 2.0
   42    44    46    53   0.53150  1.0 3.0
   42    44    48    49  -0.07800  1.0 1.0
   42    44    48    49  -0.21500 -1.0 2.0
   42    44    48    49  -0.03150  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.09700  1.0 1.0
   43    42    44    46   0.15600 -1.0 2.0
   43    42    44    46  -0.50800  1.0 3.0
   43    42    44    48   0.09700  1.0 1.0
   43    42    44    48   0.15600 -1.0 2.0
   43    42    44    48  -0.50800  1.0 3.0
   44    46   -50    33   0.56750  1.0 1.0
   44    46   -50    33  -0.07550 -1.0 2.0
   44    46   -50    33   0.20000  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    52   0.15000  1.0 3.0
   44    46    53    54  -0.11600  1.0 1.0
   44    46    53    54  -0.09450 -1.0 2.0
   44    46    53    54   0.21250  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    53   0.23400  1.0 3.0
   45    44    48    49   0.19450  1.0 3.0
   46    44    48    49  -0.11600  1.0 1.0
   46    44    48    49  -0.09450 -1.0 2.0
   46    44    48    49   0.21250  1.0 3.0
   47    46    50    33   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    53    54   0.19450  1.0 3.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    42   0.09850  1.0 1.0
   50    33   -37    42   0.15250 -1.0 2.0
   50    33   -37    42  -0.50650  1.0 3.0
   50    33    39    40   0.41150 -1.0 2.0
   50    33    39    41   0.41150 -1.0 2.0
   50    46    53    54  -0.11600  1.0 1.0
   50    46    53    54  -0.09450 -1.0 2.0
   50    46    53    54   0.21250  1.0 3.0
   53    46    50    33   0.86500  1.0 1.0
   53    46    50    33  -0.17500 -1.0 2.0
   53    46    50    33   0.20800  1.0 3.0
   53    46    50    51   0.23400  1.0 3.0
   53    46    50    52   0.23400  1.0 3.0
   48    44    46    47   0.23400  1.0 3.0
   48    44    46    50   0.86500  1.0 1.0
   48    44    46    50  -0.17500 -1.0 2.0
   48    44    46    50   0.20800  1.0 3.0
   48    44    46    53   3.75450  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42  -0.51250  1.0 1.0
   39    33    37    42  -0.88800 -1.0 2.0
   39    33    37    42   0.08850  1.0 3.0
   39    33    50    46  -1.63150  1.0 1.0
   39    33    50    46  -0.43550 -1.0 2.0
   39    33    50    46   0.24500  1.0 3.0
   39    33    50    51  -0.11250  1.0 3.0
   39    33    50    52  -0.11250  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   40    33    39    41  10.50000 -1.0 2.0
END
