* LIGAND DATABASE FILE (OPLS2005)
*
001      55    55     95    146     280
    1     0 S   NP   _N1_     1    28.01670    96.37755   -23.51910
    2     1 S   H    _HN1     2     1.02957    80.12233    -9.53857
    3     1 S   H    _H1_     3     1.02836    29.11958   148.04451
    4     1 S   H    _H2_     4     1.02776   107.14466  -115.82678
    5     1 S   CT   _CA1     5     1.50151   132.47887    99.12635
    6     5 S   HC   _HA1     6     1.09575   105.18601    82.29745
    7     5 S   CO3  _C1_     7     1.53767   112.31466   -37.84522
    8     7 S   O2Z  _O11     8     1.26369   114.98477   -44.31173
    9     7 S   O2Z  _O12     9     1.26228   114.92272   134.61366
   10     5 S   CT   _CB1    10     1.53080   107.40310  -159.82749
   11    10 S   HC   HB11    11     1.09831   109.27802   -50.28449
   12    10 S   HC   HB12    12     1.09814   110.45545    66.24915
   13    10 S   CT   _CG1    13     1.53043   112.71679  -171.32910
   14    13 S   HC   HG11    14     1.09589   110.54321   -65.65914
   15    13 S   HC   HG12    15     1.09660   109.87675    53.56806
   16    13 S   C    _CD1    16     1.51857   112.19946   173.90780
   17    16 S   O    _OE1    17     1.22773   123.23811     3.45978
   18    16 S   N    _N2_    18     1.38554   111.82485  -176.48231
   19    18 S   H    _HN2    19     1.01560   119.19050     3.12249
   20    18 S   CT1  _CA2    20     1.45847   122.75073   177.76069
   21    20 S   HC   _HA2    21     1.09732   108.76946    27.74558
   22    20 S   C    _C2_    22     1.52964   106.94388   -89.33998
   23    22 S   O    _O2_    23     1.22998   123.03930   -28.28957
   24    20 S   CT   _CB2    32     1.53184   112.41402   150.96874
   25    24 S   HC   HB21    33     1.09592   110.18267    54.92611
   26    24 S   HC   HB22    34     1.09408   109.86231   173.79496
   27    22 S   N    _N3_    24     1.38514   112.63358   154.32272
   28    27 S   H    _HN3    25     1.01664   120.33663    -1.68074
   29    24 S   S    _SG2    35     1.82462   111.18309   -65.76978
   30    27 S   CT   _CA3    26     1.45351   122.40479   178.71336
   31    30 S   HC   HA31    27     1.09571   107.65131   -58.54196
   32    30 S   HC   HA32    28     1.09567   107.73536    57.74543
   33    29 S   CT   _C12    36     1.87254    99.52184   175.37306
   34    33 S   HC   _H3_    37     1.09863   107.37172   -33.16638
   35    30 S   CO3  _C3_    29     1.52873   114.42822   179.56210
   36    35 S   O2Z  _O31    30     1.26320   116.10270    -2.68584
   37    35 S   O2Z  _O32    31     1.26447   114.39469   177.34893
   38    33 S   CM   _C7_    38     1.51568   106.64450    84.28027
   39    38 S   CMA  _C5_    39     1.35235   122.95334    94.43161
   40    39 S   OM   _O10    40     1.26113   131.05286   179.84423
   41    38 S   OH   _O14    54     1.38480   115.32844   -87.74058
   42    41 S   HO   _H21    55     0.97485   105.80697  -179.45788
   43    39 S   CM   _C4_    41     1.46760   117.44275    -0.74151
   44    43 S   HC   _H16    42     1.09002   117.54631  -164.15147
   45    43 S   CM   _C6_    43     1.35428   123.08671    18.71215
   46    33 S   CT   _C11    44     1.57856   115.41659  -153.04176
   47    46 S   OM   _O34    45     1.32580   109.10316    48.09555
   48    46 S   HC   _H19    46     1.10433   104.78632   174.45133
   49    45 S   CM   _C8_    47     1.46246   120.67648   173.43801
   50    49 S   HC   _H17    48     1.08759   114.93430  -131.69985
   51    49 S   CM   _C9_    49     1.34183   124.73411    49.56718
   52    51 S   HC   _H18    50     1.08896   119.66597     0.42058
   53    51 S   CO3  _C10    51     1.53396   122.02669   179.78786
   54    53 S   O2Z  _O33    52     1.26689   113.93789  -176.23568
   55    53 S   O2Z  _O13    53     1.26281   117.14249     4.19694
  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   9   5   4   3
  12   7   2   1   1  10   8   4   3   1   8   3   8   5   2   1
   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    46    47    48    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    45    46    47    48    49    41    42  
   38    39    45    46    47    48    41  
   36    37  
   37  
    0  
   39    40    43    44    45    46    47    48    41    42  
   40    43    44    45    46    49    41    42  
   43    44    45    41  
   42    43    46  
    0  
   44    45    46    47    48    49    50    51  
   45    46    49  
   46    47    48    49    50    51    52    53  
   47    48    49    50    51  
   48    49  
   49  
   50    51    52    53    54    55  
   51    52    53  
   52    53    54    55  
   53    54    55  
   54    55  
   55  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   48   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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  1.510
   33    46   268.000  1.529
   38    39   465.000  1.376
   38    41   510.000  1.338
   39    40   745.000  1.250
   39    43   465.000  1.376
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   317.000  1.510
   45    49   380.000  1.444
   46    47   570.000  1.307
   46    48   340.000  1.090
   49    50   340.000  1.080
   49    51   549.000  1.340
   51    52   340.000  1.080
   51    53   230.000  1.545
   53    54   656.000  1.250
   53    55   656.000  1.250
   41    42   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  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    90.00000  109.34000
   33    46    45    70.00000  112.02700
   33    46    47    50.00000  109.50000
   33    46    48    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    70.00000  123.01800
   38    41    42    70.00000  107.45700
   39    43    44    40.00000  120.50800
   39    43    45    70.00000  117.34000
   43    39    40    65.00000  137.10300
   43    45    46    70.00000  124.00000
   43    45    49    70.00000  123.01800
   45    43    44    35.00000  120.00000
   45    46    47    85.00000  110.90400
   45    46    48    35.00000  109.50000
   45    49    50    35.00000  120.00000
   45    49    51    70.00000  123.01800
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   48    46    47    45.00000  125.66300
   49    45    46    70.00000  124.00000
   49    51    52    35.00000  120.00000
   49    51    53    55.00000  124.75400
   51    49    50    35.00000  120.00000
   51    53    54    85.00000  113.83300
   51    53    55    85.00000  113.83300
   53    51    52    40.00000  118.53000
   55    53    54    80.00000  126.00000
   41    38    39    80.00000  121.38400
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    46    45   0.56750  1.0 1.0
   29    33    46    45  -0.07550 -1.0 2.0
   29    33    46    45   0.20000  1.0 3.0
   29    33    46    47   0.56750  1.0 1.0
   29    33    46    47  -0.07550 -1.0 2.0
   29    33    46    47   0.20000  1.0 3.0
   29    33    46    48   0.15000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    41    42   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    46    45   0.15000  1.0 3.0
   34    33    46    47   0.23400  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33    46    45   0.31000  1.0 1.0
   38    33    46    45   0.14700 -1.0 2.0
   38    33    46    45   0.07550  1.0 3.0
   38    33    46    47   0.61850  1.0 1.0
   38    33    46    47  -0.22750 -1.0 2.0
   38    33    46    47   0.15300  1.0 3.0
   38    33    46    48   0.15000  1.0 3.0
   38    39    43    44   7.00000 -1.0 2.0
   38    39   -43    45   7.00000 -1.0 2.0
   39    38    41    42  -0.66100  1.0 1.0
   39    38    41    42   1.20850 -1.0 2.0
   39    38    41    42  -0.36000  1.0 3.0
   39    43    45    46   7.00000 -1.0 2.0
   39    43    45    49   7.00000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   7.00000 -1.0 2.0
   43    45   -46    33   0.09850  1.0 1.0
   43    45   -46    33   0.15250 -1.0 2.0
   43    45   -46    33  -0.50650  1.0 3.0
   43    45    46    47   0.39000  1.0 1.0
   43    45    46    47  -0.05800 -1.0 2.0
   43    45    46    47  -0.55150  1.0 3.0
   43    45    46    48   0.00000  1.0 1.0
   43    45    49    50  -0.18600  1.0 3.0
   43    45    49    51   0.28850  1.0 1.0
   43    45    49    51   2.61350 -1.0 2.0
   43    45    49    51   0.78400  1.0 3.0
   44    43    45    46   7.00000 -1.0 2.0
   44    43    45    49   7.00000 -1.0 2.0
   45    49    51    52   7.00000 -1.0 2.0
   45    49    51    53   7.00000 -1.0 2.0
   46    33   -38    39   0.09850  1.0 1.0
   46    33   -38    39   0.15250 -1.0 2.0
   46    33   -38    39  -0.50650  1.0 3.0
   46    33    38    41   0.09700  1.0 1.0
   46    33    38    41   0.15600 -1.0 2.0
   46    33    38    41  -0.50800  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51  -0.18600  1.0 3.0
   49    45    46    33   0.98200  1.0 1.0
   49    45    46    33  -0.11900 -1.0 2.0
   49    45    46    33   0.24250  1.0 3.0
   49    45    46    47   0.39000  1.0 1.0
   49    45    46    47  -0.05800 -1.0 2.0
   49    45    46    47  -0.55150  1.0 3.0
   49    45    46    48   0.00000  1.0 1.0
   49    51    53    54  -0.04000 -1.0 2.0
   49    51    53    54  -0.29050  1.0 3.0
   49    51    53    55  -0.04000 -1.0 2.0
   49    51    53    55  -0.29050  1.0 3.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    53   7.00000 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   39    44    43    45   1.10000 -1.0 2.0
   49    46    45    43   1.10000 -1.0 2.0
   45    50    49    51  15.00000 -1.0 2.0
   53    52    51    49  15.00000 -1.0 2.0
   54    51    53    55  10.50000 -1.0 2.0
END
