* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     94    141     275
    1     0 S   NP   _N1_     1    28.81817    94.23972   -21.85317
    2     1 S   H    _HN1     2     1.02962    88.78002    29.24744
    3     1 S   H    _H1_     3     1.02832    27.37132   161.94053
    4     1 S   H    _H2_     4     1.02777    95.52915   -79.05730
    5     1 S   CT   _CA1     5     1.50124   137.61830   148.81453
    6     5 S   HC   _HA1     6     1.09577   105.22198    65.58876
    7     5 S   CO3  _C1_     7     1.53774   112.41180   -54.56033
    8     7 S   O2Z  _O11     8     1.26352   115.00257   -43.22089
    9     7 S   O2Z  _O12     9     1.26243   114.91591   135.94608
   10     5 S   CT   _CB1    10     1.53092   107.40992  -176.55258
   11    10 S   HC   HB11    11     1.09824   109.24881   -51.26268
   12    10 S   HC   HB12    12     1.09823   110.43671    65.24994
   13    10 S   CT   _CG1    13     1.53012   112.72721  -172.42125
   14    13 S   HC   HG11    14     1.09595   110.39265   -64.54830
   15    13 S   HC   HG12    15     1.09650   110.03837    54.69056
   16    13 S   C    _CD1    16     1.51792   112.29802   174.94119
   17    16 S   O    _OE1    17     1.22740   123.29277    -3.86321
   18    16 S   N    _N2_    18     1.38666   111.71079   176.47858
   19    18 S   H    _HN2    19     1.01596   119.12361     0.37846
   20    18 S   CT1  _CA2    20     1.46047   123.15293   179.93744
   21    20 S   HC   _HA2    21     1.09553   109.12450   -12.05203
   22    20 S   C    _C2_    22     1.53485   108.74973  -127.08858
   23    22 S   O    _O2_    23     1.23021   122.10234  -148.45249
   24    20 S   CT   _CB2    32     1.53453   111.89995   110.34399
   25    24 S   HC   HB21    33     1.09677   109.33161    62.89141
   26    24 S   HC   HB22    34     1.09461   110.86066   179.64392
   27    22 S   N    _N3_    24     1.38470   113.45031    39.11347
   28    27 S   H    _HN3    25     1.01523   118.89651    -1.02297
   29    24 S   S    _SG2    35     1.83016   114.99987   -56.42558
   30    27 S   CT   _CA3    26     1.45465   123.62087   174.73951
   31    30 S   HC   HA31    27     1.09513   109.40258    20.58267
   32    30 S   HC   HA32    28     1.09499   107.07002   137.66052
   33    29 S   CT   _C8_    36     1.80683   100.91277   -66.73223
   34    33 S   HC   _H5_    37     1.09177   114.80673    42.58265
   35    30 S   CO3  _C3_    29     1.52942   113.05898  -102.98156
   36    35 S   O2Z  _O31    30     1.26412   115.42744   -42.53830
   37    35 S   O2Z  _O32    31     1.26354   114.95928   138.35495
   38    33 S   CO4  _C7_    38     1.49555   109.52616   164.32891
   39    38 S   O    _O33    39     1.22371   125.45392   -59.36097
   40    38 S   CT   _C6_    40     1.50196   110.20106   121.71863
   41    40 S   HC   _H4_    41     1.09472   109.10984   112.14777
   42    40 S   OS   _O35    42     1.44319   103.29087    -2.57846
   43    40 S   CT   _C5_    45     1.52610   112.92379  -122.30184
   44    43 S   HC   _H3_    46     1.09582   110.30719   -58.02325
   45    33 S   CO4  _C9_    43     1.50242   110.95351   -82.63035
   46    45 S   O    _O34    44     1.22112   126.49902    60.43122
   47    43 S   CT   _C4_    47     1.52893   111.65168   179.61033
   48    47 S   HC   _H6_    48     1.09482   111.46784   -70.24421
   49    47 S   HC   _H7_    49     1.09446   110.94502    52.00601
   50    43 S   OH   _O36    52     1.43130   109.74674    58.93701
   51    50 S   HO   _H8_    53     0.97280   107.93895    64.56733
   52    47 S   OH   _O37    50     1.42394   109.13055   170.86221
   53    52 S   HO   _H9_    51     0.97242   107.11416   179.37193
  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   8   5   4   3
   9   6   2   1   1  10   5  12   6   6   9   6   1   1   6   4
   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    43  
   38    39    40    42    45    46  
   36    37  
   37  
    0  
   39    40    41    42    45    46    43    44    47    50  
   40    41    42    45    43  
   41    42    45    46    43    44    47    48    49    52    50    51  
   42    45    43    44    47    50  
   45    46    43    44    47    50  
   44    47    48    49    52    53    50    51    45  
   47    48    49    52    50    51  
   46  
    0  
   48    49    52    53    50    51  
   49    52    53    50  
   52    53    50  
   51    52  
    0  
   53  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   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    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  1.522
   33    45   317.000  1.522
   38    39   570.000  1.229
   38    40   317.000  1.522
   40    41   340.000  1.090
   40    42   320.000  1.410
   40    43   268.000  1.529
   42    45   214.000  1.327
   45    46   570.000  1.229
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    50   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   320.000  1.410
   52    53   553.000  0.945
   50    51   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    45    75.00000  110.18000
   33    38    39    80.00000  120.40000
   33    38    40    70.00000  116.00000
   33    45    42    81.00000  111.40000
   33    45    46    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    42    90.00000  108.74100
   38    40    43    63.00000  111.10000
   40    38    39    80.00000  120.40000
   40    42    45    83.00000  116.90000
   40    43    44    37.50000  110.70000
   40    43    47    58.35000  112.70000
   40    43    50    50.00000  109.50000
   42    40    41    35.00000  109.50000
   42    45    46    83.00000  123.40000
   45    33    34    35.00000  109.50000
   45    33    38    75.00000  107.99600
   43    40    41    37.50000  110.70000
   43    40    42    50.00000  109.50000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    52    50.00000  109.50000
   43    50    51    55.00000  108.50000
   47    43    44    37.50000  110.70000
   47    52    53    55.00000  108.50000
   49    47    48    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    35.00000  109.50000
   50    43    44    35.00000  109.50000
   50    43    47    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    45    42   0.40000  1.0 3.0
   29    33    45    46   0.30150 -1.0 2.0
   33    38    40    41   0.00000  1.0 1.0
   33    38   -40    42   0.55300  1.0 1.0
   33    38   -40    42   1.25850 -1.0 2.0
   33    38   -40    42  -0.23600  1.0 3.0
   33    38    40    43   0.60050  1.0 1.0
   33    38    40    43   0.05600 -1.0 2.0
   33    38    40    43   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    45    42   0.00000  1.0 1.0
   34    33    45    46   0.00000  1.0 1.0
   38    33   -45    42   0.40000  1.0 3.0
   38    33    45    46   0.30150 -1.0 2.0
   38    40   -42    45  -1.80650  1.0 1.0
   38    40   -42    45   0.63900 -1.0 2.0
   38    40   -42    45   0.03650  1.0 3.0
   38    40    43    44  -0.11250  1.0 3.0
   38    40    43    47  -0.95700  1.0 1.0
   38    40    43    47  -0.18200 -1.0 2.0
   38    40    43    47   0.29450  1.0 3.0
   38    40    43    50  -0.09450  1.0 1.0
   38    40    43    50  -1.12950 -1.0 2.0
   38    40    43    50   0.54000  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.30150 -1.0 2.0
   39    38    40    43   0.30150 -1.0 2.0
   40    42   -45    33   1.63150  1.0 1.0
   40    42   -45    33   2.92000 -1.0 2.0
   40    42    45    46   3.00000 -1.0 2.0
   40    43    47    48   0.15000  1.0 3.0
   40    43    47    49   0.15000  1.0 3.0
   40    43    47    52   0.86500  1.0 1.0
   40    43    47    52  -0.17500 -1.0 2.0
   40    43    47    52   0.20800  1.0 3.0
   40    43    50    51  -0.11600  1.0 1.0
   40    43    50    51  -0.09450 -1.0 2.0
   40    43    50    51   0.21250  1.0 3.0
   41    40    42    45   0.08050  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    47   0.15000  1.0 3.0
   41    40    43    50   0.23400  1.0 3.0
   42    40    43    44   0.23400  1.0 3.0
   42    40    43    47   0.62750  1.0 1.0
   42    40    43    47  -0.30950 -1.0 2.0
   42    40    43    47   0.27300  1.0 3.0
   42    40    43    50   3.69350  1.0 1.0
   42    40    43    50  -1.82950 -1.0 2.0
   45    33    38    39   0.30150 -1.0 2.0
   45    33   -38    40   0.65300  1.0 1.0
   45    33   -38    40  -0.03850 -1.0 2.0
   45    33   -38    40   0.33900  1.0 3.0
   43    40    42    45  -0.25900  1.0 1.0
   43    40    42    45  -0.47000 -1.0 2.0
   43    40    42    45   0.11750  1.0 3.0
   43    47    52    53  -0.11600  1.0 1.0
   43    47    52    53  -0.09450 -1.0 2.0
   43    47    52    53   0.21250  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   47    43    50    51  -0.11600  1.0 1.0
   47    43    50    51  -0.09450 -1.0 2.0
   47    43    50    51   0.21250  1.0 3.0
   48    47    52    53   0.19450  1.0 3.0
   49    47    52    53   0.19450  1.0 3.0
   50    43    47    48   0.23400  1.0 3.0
   50    43    47    49   0.23400  1.0 3.0
   50    43    47    52   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   33    42    45    46  10.50000 -1.0 2.0
END
