* LIGAND DATABASE FILE (OPLS2005)
*
001      52    52     92    141     272
    1     0 S   NP   _N1_     1    28.05668    96.06698   -22.53872
    2     1 S   H    _HN1     2     1.02778   101.26394  -124.13983
    3     1 S   H    _H1_     3     1.02957    81.03922   -17.09375
    4     1 S   H    _H2_     4     1.02836    31.06041   129.83250
    5     1 S   CT   _CA1     5     1.50151   137.71209    93.46133
    6     5 S   HC   _HA1     6     1.09575   105.19715    78.37005
    7     5 S   CO3  _C1_     7     1.53776   112.24840   -41.79367
    8     7 S   O2Z  _O11     8     1.26371   114.99222   -45.70772
    9     7 S   O2Z  _O12     9     1.26221   114.92518   133.17730
   10     5 S   CT   _CB1    10     1.53074   107.39483  -163.76033
   11    10 S   HC   HB11    11     1.09832   109.32410   -50.16021
   12    10 S   HC   HB12    12     1.09814   110.45075    66.38387
   13    10 S   CT   _CG1    13     1.53039   112.69203  -171.18187
   14    13 S   HC   HG11    14     1.09590   110.55373   -64.90305
   15    13 S   HC   HG12    15     1.09657   109.88224    54.32643
   16    13 S   C    _CD1    16     1.51852   112.16359   174.70102
   17    16 S   O    _OE1    17     1.22780   123.23739     3.42051
   18    16 S   N    _N2_    18     1.38523   111.84306  -176.54804
   19    18 S   H    _HN2    19     1.01586   119.28933     2.80547
   20    18 S   CT1  _CA2    20     1.45862   122.76723   178.58598
   21    20 S   HC   _HA2    21     1.09734   108.71004    29.15443
   22    20 S   C    _C2_    22     1.52985   107.04483   -87.98082
   23    22 S   O    _O2_    23     1.22996   123.08234   -27.35600
   24    20 S   CT   _CB2    32     1.53271   112.37572   152.32353
   25    24 S   HC   HB21    33     1.09442   109.56627    55.87027
   26    24 S   HC   HB22    34     1.09502   109.99119   174.82983
   27    22 S   N    _N3_    24     1.38530   112.64457   155.24285
   28    27 S   H    _HN3    25     1.01664   120.34040    -2.15395
   29    24 S   S    _SG2    35     1.82221   111.12517   -64.47404
   30    27 S   CT   _CA3    26     1.45354   122.35577   178.66528
   31    30 S   HC   HA31    27     1.09574   107.70014   -56.94013
   32    30 S   HC   HA32    28     1.09564   107.68284    59.33838
   33    29 S   CT   _C8_    36     1.84952   100.72143  -164.65286
   34    33 S   HC   _H3_    37     1.09609   105.62051    52.75528
   35    30 S   CO3  _C3_    29     1.52858   114.44809  -178.93101
   36    35 S   O2Z  _O31    30     1.26313   116.10422    -4.13038
   37    35 S   O2Z  _O32    31     1.26442   114.39897   175.89730
   38    33 S   CM   _C6_    38     1.50712   107.07677   169.87515
   39    38 S   CM   _C4_    39     1.44628   119.44836    90.11365
   40    39 S   HC   _H15    40     1.08645   116.83315  -169.27237
   41    38 S   CMA  _C7_    50     1.51042   121.87152   -95.83684
   42    41 S   OM   _O8_    51     1.26329   120.96931   114.43374
   43    41 S   OM   _O9_    52     1.26337   120.36548   -65.23219
   44    39 S   CM   _C5_    41     1.34626   122.49097    10.06570
   45    44 S   Cl   CL13    42     1.74523   117.83943  -177.81484
   46    44 S   CT   _C10    43     1.52514   123.60723     3.61460
   47    46 S   OM   _O10    44     1.31840   109.87228  -112.07054
   48    46 S   Cl   CL14    45     1.80697   110.42969   130.83389
   49    33 S   CT   _C9_    46     1.55115   117.25233   -68.37178
   50    49 S   HC   _H17    47     1.10257   104.90580   175.55406
   51    49 S   OH   _O33    48     1.42931   112.08509    63.28461
   52    51 S   HO   _H18    49     0.97181   107.24200    53.58755
  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
  15   7   2   1   1  11  10   4   4   1   1   7   4   6   4   3
   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    50    51    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    48    49    50    51    52    41    42    43  
   38    39    46    49    50    51    41  
   36    37  
   37  
    0  
   39    40    44    45    46    49    50    51    41    42    43  
   40    44    45    46    47    48    49    41    42    43  
   44    45    46    41  
   42    43    44    49  
   43  
    0  
   45    46    47    48    49    50    51  
   46    47    48    49  
   47    48    49    50    51    52  
   48    49    50    51  
   49    50    51  
   50    51    52  
   51    52  
   52  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   46   4.2000   0.3000   0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   48   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   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  1.510
   33    49   268.000  1.529
   38    39   380.000  1.444
   38    41   465.000  1.376
   39    40   340.000  1.080
   39    44   549.000  1.340
   44    45   300.000  1.725
   44    46   317.000  1.510
   46    47   570.000  1.307
   46    48   245.000  1.781
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   320.000  1.410
   51    52   553.000  0.945
   41    42   745.000  1.250
   41    43   745.000  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    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    49    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    49    46    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    51    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    44    70.00000  123.01800
   38    41    42    65.00000  137.10300
   38    41    43    65.00000  137.10300
   39    44    45    75.00000  121.50000
   39    44    46    70.00000  124.00000
   44    39    40    35.00000  120.00000
   44    46    47    85.00000  110.90400
   44    46    48    75.00000  111.90500
   44    46    49    70.00000  112.02700
   46    44    45    75.00000  111.02000
   46    49    50    37.50000  110.70000
   46    49    51    50.00000  109.50000
   48    46    47    95.00000  108.90000
   49    33    34    37.50000  110.70000
   49    33    38    70.00000  112.02700
   49    46    47    50.00000  109.50000
   49    46    48    69.00000  109.80000
   49    51    52    55.00000  108.50000
   51    49    50    35.00000  109.50000
   41    38    39    70.00000  117.34000
   43    41    42    65.00000  121.00000
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    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    49    46   0.44750  1.0 1.0
   29    33    49    46  -0.17800 -1.0 2.0
   29    33    49    46   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    51   0.56750  1.0 1.0
   29    33    49    51  -0.07550 -1.0 2.0
   29    33    49    51   0.20000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    44  -0.18600  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    43   7.00000 -1.0 2.0
   33    49    51    52  -0.11600  1.0 1.0
   33    49    51    52  -0.09450 -1.0 2.0
   33    49    51    52   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    49    46   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    51   0.23400  1.0 3.0
   38    33    49    46   0.34400  1.0 1.0
   38    33    49    46   0.09450 -1.0 2.0
   38    33    49    46   0.11100  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    51   1.05650  1.0 1.0
   38    33    49    51   0.15600 -1.0 2.0
   38    33    49    51   0.53150  1.0 3.0
   38    39    44    45   7.00000 -1.0 2.0
   38    39   -44    46   7.00000 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    43   7.00000 -1.0 2.0
   39    44    46    47   0.39000  1.0 1.0
   39    44    46    47  -0.05800 -1.0 2.0
   39    44    46    47  -0.55150  1.0 3.0
   39    44    46    48   0.09700  1.0 1.0
   39    44    46    48   0.15600 -1.0 2.0
   39    44    46    48  -0.50800  1.0 3.0
   39    44    46    49   0.09850  1.0 1.0
   39    44    46    49   0.15250 -1.0 2.0
   39    44    46    49  -0.50650  1.0 3.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    46   7.00000 -1.0 2.0
   44    46   -49    33   0.34400  1.0 1.0
   44    46   -49    33   0.09450 -1.0 2.0
   44    46   -49    33   0.11100  1.0 3.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    51   1.05650  1.0 1.0
   44    46    49    51   0.15600 -1.0 2.0
   44    46    49    51   0.53150  1.0 3.0
   45    44    46    47   0.09700  1.0 1.0
   45    44    46    47   0.15600 -1.0 2.0
   45    44    46    47  -0.50800  1.0 3.0
   45    44    46    48   0.09700  1.0 1.0
   45    44    46    48   0.15600 -1.0 2.0
   45    44    46    48  -0.50800  1.0 3.0
   45    44    46    49   0.09700  1.0 1.0
   45    44    46    49   0.15600 -1.0 2.0
   45    44    46    49  -0.50800  1.0 3.0
   46    49    51    52  -0.11600  1.0 1.0
   46    49    51    52  -0.09450 -1.0 2.0
   46    49    51    52   0.21250  1.0 3.0
   47    46    49    33   0.62750  1.0 1.0
   47    46    49    33  -0.30950 -1.0 2.0
   47    46    49    33   0.27300  1.0 3.0
   47    46    49    50   0.23400  1.0 3.0
   47    46    49    51   3.69350  1.0 1.0
   47    46    49    51  -1.82950 -1.0 2.0
   48    46    49    33   0.35600  1.0 1.0
   48    46    49    33  -0.14650 -1.0 2.0
   48    46    49    33   0.33350  1.0 3.0
   48    46    49    50   0.27000  1.0 3.0
   48    46    49    51   0.56750  1.0 1.0
   48    46    49    51  -0.07550 -1.0 2.0
   48    46    49    51   0.20000  1.0 3.0
   49    33   -38    39   0.98200  1.0 1.0
   49    33   -38    39  -0.11900 -1.0 2.0
   49    33   -38    39   0.24250  1.0 3.0
   49    33    38    41   0.09850  1.0 1.0
   49    33    38    41   0.15250 -1.0 2.0
   49    33    38    41  -0.50650  1.0 3.0
   50    49    51    52   0.19450  1.0 3.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    44   0.28850  1.0 1.0
   41    38    39    44   2.61350 -1.0 2.0
   41    38    39    44   0.78400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   38    40    39    44   1.10000 -1.0 2.0
   46    45    44    39   1.10000 -1.0 2.0
   42    43    41    38   1.10000 -1.0 2.0
END
