* LIGAND DATABASE FILE (OPLS2005)
*
001      58    58    104    150     300
    1     0 S   NP   _N1_     1    28.92433    96.06088   -25.07436
    2     1 S   H    _HN1     2     1.02945    72.23977     6.37412
    3     1 S   H    _H1_     3     1.02825    34.85925  -173.98334
    4     1 S   H    _H2_     4     1.02797   119.43554   -95.12820
    5     1 S   CT   _CA1     5     1.50132   124.36076   109.37478
    6     5 S   HC   _HA1     6     1.09575   105.14155    95.71224
    7     5 S   CO3  _C1_     7     1.53753   112.47912   -24.46046
    8     7 S   O2Z  _O11     8     1.26375   115.00120   -42.26243
    9     7 S   O2Z  _O12     9     1.26236   114.94313   136.70204
   10     5 S   CT   _CB1    10     1.53053   107.40114  -146.34493
   11    10 S   HC   HB11    11     1.09844   109.27956   -49.42226
   12    10 S   HC   HB12    12     1.09809   110.49920    67.15843
   13    10 S   CT   _CG1    13     1.53036   112.66159  -170.35390
   14    13 S   HC   HG11    14     1.09564   110.76318   -68.53106
   15    13 S   HC   HG12    15     1.09670   109.66236    50.71635
   16    13 S   C    _CD1    16     1.51822   111.88768   171.19846
   17    16 S   O    _OE1    17     1.22766   123.12687    14.65577
   18    16 S   N    _N2_    18     1.38633   111.89494  -165.23230
   19    18 S   H    _HN2    19     1.01569   119.04727     0.44762
   20    18 S   CT1  _CA2    20     1.46242   123.40407   175.92316
   21    20 S   HC   _HA2    21     1.09740   109.22538     9.42915
   22    20 S   C    _C2_    22     1.53764   109.05401  -106.07650
   23    22 S   O    _O2_    23     1.23100   122.21654  -150.38168
   24    20 S   CT   _CB2    32     1.53335   111.62507   131.45946
   25    24 S   HC   HB21    33     1.09550   109.91680    56.38136
   26    24 S   HC   HB22    34     1.09484   109.88359   175.30347
   27    22 S   N    _N3_    24     1.38301   113.99166    37.16366
   28    27 S   H    _HN3    25     1.01520   119.64242    -3.19212
   29    24 S   S    _SG2    35     1.83018   111.39805   -65.04208
   30    27 S   CT   _CA3    26     1.45274   123.31483   177.25092
   31    30 S   HC   HA31    27     1.09547   107.51527   -64.95023
   32    30 S   HC   HA32    28     1.09556   108.00290    51.51800
   33    29 S   CT   _C9_    36     1.85492   100.21555   177.47028
   34    33 S   OM   _O35    37     1.31630   109.51723   -75.02228
   35    30 S   CO3  _C3_    29     1.52982   114.02425   173.52973
   36    35 S   O2Z  _O31    30     1.26390   116.09642    -0.02798
   37    35 S   O2Z  _O32    31     1.26426   114.41216  -179.95577
   38    33 S   CT   _C8_    38     1.54568   112.98176   162.59726
   39    38 S   HC   _H5_    39     1.10052   111.76589   163.34061
   40    38 S   CO4  _C7_    40     1.50407    99.15988   -85.33674
   41    40 S   O    _O33    41     1.22403   125.39420   157.69888
   42    38 S   OS   _O36    54     1.40931   114.74162    34.72058
   43    40 S   CT   _C6_    42     1.50599   110.58054   -22.29178
   44    43 S   HC   _H4_    43     1.09540   109.04083   115.82944
   45    42 S   SY   _S1_    55     1.63798   120.32970   140.02354
   46    45 S   OY   _O39    56     1.46170   104.40817   -66.43018
   47    45 S   OY   _O37    57     1.46212   103.48650   173.88801
   48    45 S   OY   _O38    58     1.46188   104.73844    54.14775
   49    33 S   OS   _O34    44     1.44565   111.30039    46.36334
   50    43 S   CT   _C5_    45     1.52343   113.39185  -119.05057
   51    50 S   HC   _H3_    46     1.09620   110.19042   -61.61332
   52    50 S   CT   _C4_    47     1.52691   111.60141   175.44061
   53    52 S   HC   _H6_    48     1.09481   111.40076   -69.33361
   54    52 S   HC   _H7_    49     1.09434   111.13329    53.26494
   55    50 S   OH   _O40    52     1.43098   109.59396    55.45757
   56    55 S   HO   _H8_    53     0.97318   106.92472   175.43160
   57    52 S   OH   _O41    50     1.42530   108.70016   172.21951
   58    57 S   HO   _H9_    51     0.97262   106.90220   179.49681
  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
  11   6   2   1   1  12   6  10   5   6  10   5   3   2   1   1
   4   8   6   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    49    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    44    49    50    42    45  
   38    39    40    43    49    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    50    42    45    46    47    48  
   40    41    43    49    42    45  
   41    43    44    49    50    51    52    55    42    45  
   43    44    49    50    42  
   45    46    47    48    43    49  
   44    49    50    51    52    53    54    57    55    56  
   49    50    51    52    55  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    55  
   51    52    53    54    57    58    55    56  
   52    53    54    57    55    56  
   53    54    57    58    55    56  
   54    57    58    55  
   57    58    55  
   56    57  
    0  
   58  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660   0.111100   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   46   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   47   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   48   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   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   570.000  1.307
   33    38   268.000  1.529
   33    49   320.000  1.410
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    44   340.000  1.090
   43    49   320.000  1.410
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   320.000  1.410
   57    58   553.000  0.945
   55    56   553.000  0.945
   42    45   335.000  1.682
   45    46   735.000  1.471
   45    47   735.000  1.471
   45    48   735.000  1.471
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    49    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    49    43    60.00000  109.50000
   38    33    34    50.00000  109.50000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    45   100.00000  113.05000
   40    38    39    35.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    49    90.00000  108.74100
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    50    51    37.50000  110.70000
   43    50    52    58.35000  112.70000
   43    50    55    50.00000  109.50000
   49    33    34   110.00000  112.65000
   49    33    38    50.00000  109.50000
   49    43    44    35.00000  109.50000
   50    43    44    37.50000  110.70000
   50    43    49    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    57    50.00000  109.50000
   50    55    56    55.00000  108.50000
   52    50    51    37.50000  110.70000
   52    57    58    55.00000  108.50000
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   55    50    51    35.00000  109.50000
   55    50    52    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    45    46   135.00000  106.70400
   42    45    47   135.00000  106.70400
   42    45    48   135.00000  106.70400
   47    45    46   115.00000  120.17200
   48    45    46   115.00000  120.17200
   48    45    47   115.00000  120.17200
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    49   0.13850  1.0 1.0
   24    29    33    49  -1.34450 -1.0 2.0
   24    29    33    49   0.57400  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   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    49    43   0.14700  1.0 1.0
   29    33    49    43  -1.16150 -1.0 2.0
   29    33    49    43   0.48700  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   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
   33    38    42    45   0.37500  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40  -0.09450  1.0 1.0
   34    33    38    40  -1.12950 -1.0 2.0
   34    33    38    40   0.54000  1.0 3.0
   34    33    38    42   1.11900  1.0 1.0
   34    33    38    42  -1.16350 -1.0 2.0
   34    33    38    42  -0.34150  1.0 3.0
   34    33    49    43  -0.11650  1.0 1.0
   34    33    49    43  -1.14850 -1.0 2.0
   34    33    49    43   0.58850  1.0 3.0
   38    33   -49    43   0.06250  1.0 1.0
   38    33   -49    43  -0.01100 -1.0 2.0
   38    33   -49    43   0.28050  1.0 3.0
   38    40    43    44   0.00000  1.0 1.0
   38    40   -43    49   0.55300  1.0 1.0
   38    40   -43    49   1.25850 -1.0 2.0
   38    40   -43    49  -0.23600  1.0 3.0
   38    40    43    50   0.60050  1.0 1.0
   38    40    43    50   0.05600 -1.0 2.0
   38    40    43    50   0.26150  1.0 3.0
   38    42    45    46   0.29800  1.0 3.0
   38    42    45    47   0.29800  1.0 3.0
   38    42    45    48   0.29800  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    42    45   0.00000  1.0 1.0
   40    38    42    45   0.37500  1.0 3.0
   40    43   -49    33  -1.11000  1.0 1.0
   40    43   -49    33   0.50250 -1.0 2.0
   40    43   -49    33   0.47450  1.0 3.0
   40    43    50    51  -0.11250  1.0 3.0
   40    43    50    52  -0.95700  1.0 1.0
   40    43    50    52  -0.18200 -1.0 2.0
   40    43    50    52   0.29450  1.0 3.0
   40    43    50    55  -0.09450  1.0 1.0
   40    43    50    55  -1.12950 -1.0 2.0
   40    43    50    55   0.54000  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    49   0.30150 -1.0 2.0
   41    40    43    50   0.30150 -1.0 2.0
   43    50    52    53   0.15000  1.0 3.0
   43    50    52    54   0.15000  1.0 3.0
   43    50    52    57   0.86500  1.0 1.0
   43    50    52    57  -0.17500 -1.0 2.0
   43    50    52    57   0.20800  1.0 3.0
   43    50    55    56  -0.11600  1.0 1.0
   43    50    55    56  -0.09450 -1.0 2.0
   43    50    55    56   0.21250  1.0 3.0
   44    43    49    33   0.37050  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    55   0.23400  1.0 3.0
   49    33    38    39   0.23400  1.0 3.0
   49    33   -38    40  -0.09450  1.0 1.0
   49    33   -38    40  -1.12950 -1.0 2.0
   49    33   -38    40   0.54000  1.0 3.0
   49    33    38    42   1.11900  1.0 1.0
   49    33    38    42  -1.16350 -1.0 2.0
   49    33    38    42  -0.34150  1.0 3.0
   49    43    50    51   0.23400  1.0 3.0
   49    43    50    52   0.62750  1.0 1.0
   49    43    50    52  -0.30950 -1.0 2.0
   49    43    50    52   0.27300  1.0 3.0
   49    43    50    55   3.69350  1.0 1.0
   49    43    50    55  -1.82950 -1.0 2.0
   50    43    49    33   0.06250  1.0 1.0
   50    43    49    33  -0.01100 -1.0 2.0
   50    43    49    33   0.28050  1.0 3.0
   50    52    57    58  -0.11600  1.0 1.0
   50    52    57    58  -0.09450 -1.0 2.0
   50    52    57    58   0.21250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    57   0.23400  1.0 3.0
   51    50    55    56   0.19450  1.0 3.0
   52    50    55    56  -0.11600  1.0 1.0
   52    50    55    56  -0.09450 -1.0 2.0
   52    50    55    56   0.21250  1.0 3.0
   53    52    57    58   0.19450  1.0 3.0
   54    52    57    58   0.19450  1.0 3.0
   55    50    52    53   0.23400  1.0 3.0
   55    50    52    54   0.23400  1.0 3.0
   55    50    52    57   3.75450  1.0 1.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  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
   36    30    35    37  10.50000 -1.0 2.0
   38    43    40    41  10.50000 -1.0 2.0
END
