* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    107    160     315
    1     0 S   NP   _N1_     1    28.11659    93.67875   -26.18887
    2     1 S   H    _HN1     2     1.02777   109.66483  -111.56900
    3     1 S   H    _H1_     3     1.02957    93.93175    -0.50358
    4     1 S   H    _H2_     4     1.02835    13.66900   163.53178
    5     1 S   CT   _CA1     5     1.50136   120.39055   115.93104
    6     5 S   HC   _HA1     6     1.09575   105.20639    69.95111
    7     5 S   CO3  _C1_     7     1.53775   112.34290   -50.22908
    8     7 S   O2Z  _O11     8     1.26366   114.99708   -44.12874
    9     7 S   O2Z  _O12     9     1.26231   114.92670   134.91575
   10     5 S   CT   _CB1    10     1.53088   107.41508  -172.15002
   11    10 S   HC   HB11    11     1.09829   109.30973   -50.39586
   12    10 S   HC   HB12    12     1.09816   110.43545    66.14627
   13    10 S   CT   _CG1    13     1.53034   112.69954  -171.45486
   14    13 S   HC   HG11    14     1.09591   110.52011   -64.87498
   15    13 S   HC   HG12    15     1.09657   109.90038    54.34453
   16    13 S   C    _CD1    16     1.51846   112.25175   174.70343
   17    16 S   O    _OE1    17     1.22764   123.26231     1.76103
   18    16 S   N    _N2_    18     1.38562   111.78045  -178.18135
   19    18 S   H    _HN2    19     1.01558   119.12852     3.80694
   20    18 S   CT1  _CA2    20     1.45837   122.77959   178.03646
   21    20 S   HC   _HA2    21     1.09728   108.81495    26.49219
   22    20 S   C    _C2_    22     1.52934   106.95545   -90.62310
   23    22 S   O    _O2_    23     1.22991   123.02264   -27.93723
   24    20 S   CT   _CB2    32     1.53134   112.36208   149.66739
   25    24 S   HC   HB21    33     1.09612   110.36658    55.25138
   26    24 S   HC   HB22    34     1.09542   110.20193   174.24119
   27    22 S   N    _N3_    24     1.38498   112.63074   154.77260
   28    27 S   H    _HN3    25     1.01665   120.35680    -2.09228
   29    24 S   S    _SG2    35     1.82300   111.42190   -65.50941
   30    27 S   CT   _CA3    26     1.45362   122.42039   178.70517
   31    30 S   HC   HA31    27     1.09570   107.73486   -56.80918
   32    30 S   HC   HA32    28     1.09564   107.66496    59.49573
   33    29 S   CT   _C14    36     1.81895    98.47334  -179.64392
   34    33 S   HC   _H3_    37     1.09495   108.91447   -58.09343
   35    33 S   HC   _H4_    38     1.09398   109.12895    59.32999
   36    30 S   CO3  _C3_    29     1.52877   114.38837  -178.75102
   37    36 S   O2Z  _O31    30     1.26326   116.07693    -2.31325
   38    36 S   O2Z  _O32    31     1.26437   114.40526   177.67813
   39    33 S   CM   _C9_    39     1.49287   110.43402  -178.41008
   40    39 S   CMA  _C10    40     1.52087   122.07756   -86.79570
   41    40 S   OM   _O13    41     1.26323   121.16471   125.83533
   42    40 S   OM   _O14    42     1.26325   120.41161   -53.94938
   43    39 S   OS   _O16    43     1.38383   116.20529    80.20125
   44    43 S   CT   _C13    44     1.44413   113.32277   128.18349
   45    44 S   HC   _H25    45     1.09774   111.30423    14.60696
   46    44 S   CM   _C6_    46     1.50669   107.21202  -103.44614
   47    46 S   HC   _H20    47     1.09088   113.46949    35.97806
   48    44 S   CT   _C12    56     1.52981   105.65683   133.38532
   49    48 S   HC   _H23    57     1.09900   110.19022    62.37125
   50    48 S   HC   _H24    58     1.09798   108.56327   -51.88221
   51    46 S   CM   _C7_    48     1.34229   129.33800  -144.66692
   52    51 S   CM   _C4_    49     1.44360   129.87003    -4.00722
   53    52 S   HC   _H18    50     1.09020   115.07640  -177.61214
   54    51 S   CO3  _C8_    59     1.54275   116.06064   179.58741
   55    54 S   O2Z  _O33    60     1.26590   115.42660   -57.71431
   56    54 S   O2Z  _O15    61     1.26594   115.48932   122.45738
   57    52 S   CM   _C5_    51     1.33947   129.02425    -0.35277
   58    57 S   HC   _H19    52     1.08955   116.49163  -176.54226
   59    57 S   CT   _C11    53     1.49503   129.15515     3.93970
   60    59 S   HC   _H21    54     1.09789   107.08730   148.43155
   61    59 S   HC   _H22    55     1.09633   109.25966   -96.98287
  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   6   5   4   3
   8   4   3   2   1   1   8   4   2   1   9  13   7  12   4   9
   5   4   8   9   4   3   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44  
   35    39    40    43  
   39    40    43  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    48  
   41    42    43    44  
   42    43  
   43  
   44    45    46    47    51    59    48    49    50  
   45    46    47    51    52    57    59    60    61    48    49    50    54  
   46    47    51    59    48    49    50  
   47    51    52    53    57    59    48    49    50    54    55    56  
   51    52    48    54  
   49    50    51    52    57    58    59    60    61  
   50    57    59    60    61  
   57    59    60    61  
   52    53    57    58    59    54    55    56  
   53    57    58    59    60    61    54    55    56  
   57    58    59    54  
   55    56    57  
   56  
    0  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    43   440.000  1.360
   40    41   745.000  1.250
   40    42   745.000  1.250
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    51   549.000  1.340
   51    52   380.000  1.444
   51    54   230.000  1.545
   52    53   340.000  1.080
   52    57   549.000  1.340
   57    58   340.000  1.080
   57    59   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   54    55   656.000  1.250
   54    56   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    43    85.00000  112.85300
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    65.00000  137.10300
   39    43    44    90.00000  111.18400
   42    40    41    65.00000  121.00000
   43    39    40    80.00000  120.01400
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    51    70.00000  124.00000
   44    48    59    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    51    52    70.00000  123.01800
   46    51    54    55.00000  124.75400
   51    46    47    35.00000  120.00000
   51    52    53    35.00000  120.00000
   51    52    57    70.00000  123.01800
   51    54    55    85.00000  113.83300
   51    54    56    85.00000  113.83300
   52    57    58    35.00000  120.00000
   52    57    59    70.00000  124.00000
   57    52    53    35.00000  120.00000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    48    70.00000  112.02700
   59    57    58    35.00000  117.00000
   59    48    49    37.50000  110.70000
   59    48    50    37.50000  110.70000
   61    59    60    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    59    60    37.50000  110.70000
   48    59    61    37.50000  110.70000
   50    48    49    33.00000  107.80000
   54    51    52    55.00000  124.75400
   56    54    55    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    43   0.09700  1.0 1.0
   29    33    39    43   0.15600 -1.0 2.0
   29    33    39    43  -0.50800  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    43    44   2.00000 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    43   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    43   0.00000  1.0 1.0
   39    43    44    45   0.08050  1.0 3.0
   39    43    44    46  -0.48150  1.0 1.0
   39    43    44    46   0.09250 -1.0 2.0
   39    43    44    46  -0.12850  1.0 3.0
   39    43    44    48  -0.46850  1.0 1.0
   39    43    44    48   0.09300 -1.0 2.0
   39    43    44    48  -0.12850  1.0 3.0
   40    39    43    44  -2.26850  1.0 1.0
   40    39    43    44   3.39050 -1.0 2.0
   43    39    40    41   7.00000 -1.0 2.0
   43    39    40    42   7.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    51   0.39000  1.0 1.0
   43    44    46    51  -0.05800 -1.0 2.0
   43    44    46    51  -0.55150  1.0 3.0
   43    44    48    59   0.62750  1.0 1.0
   43    44    48    59  -0.30950 -1.0 2.0
   43    44    48    59   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    50   0.23400  1.0 3.0
   44    46    51    52   7.00000 -1.0 2.0
   44    46    51    54   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    51   0.00000  1.0 1.0
   45    44    48    59   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   46    44    48    59   0.34400  1.0 1.0
   46    44    48    59   0.09450 -1.0 2.0
   46    44    48    59   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    50   0.15000  1.0 3.0
   46    51    52    53  -0.18600  1.0 3.0
   46    51    52    57   0.28850  1.0 1.0
   46    51    52    57   2.61350 -1.0 2.0
   46    51    52    57   0.78400  1.0 3.0
   46    51    54    55  -0.04000 -1.0 2.0
   46    51    54    55  -0.29050  1.0 3.0
   46    51    54    56  -0.04000 -1.0 2.0
   46    51    54    56  -0.29050  1.0 3.0
   47    46    51    52   7.00000 -1.0 2.0
   47    46    51    54   7.00000 -1.0 2.0
   51    52    57    58   7.00000 -1.0 2.0
   51    52    57    59   7.00000 -1.0 2.0
   52    51    54    55  -0.04000 -1.0 2.0
   52    51    54    55  -0.29050  1.0 3.0
   52    51    54    56  -0.04000 -1.0 2.0
   52    51    54    56  -0.29050  1.0 3.0
   52    57    59    60   0.00000  1.0 1.0
   52    57    59    61   0.00000  1.0 1.0
   52    57    59    48   0.09850  1.0 1.0
   52    57    59    48   0.15250 -1.0 2.0
   52    57    59    48  -0.50650  1.0 3.0
   53    52    57    58   7.00000 -1.0 2.0
   53    52    57    59   7.00000 -1.0 2.0
   57    59    48    44   0.34400  1.0 1.0
   57    59    48    44   0.09450 -1.0 2.0
   57    59    48    44   0.11100  1.0 3.0
   57    59    48    49   0.15000  1.0 3.0
   57    59    48    50   0.15000  1.0 3.0
   58    57    59    60   0.33100  1.0 3.0
   58    57    59    61   0.33100  1.0 3.0
   58    57    59    48   0.00000  1.0 1.0
   60    59    48    44   0.15000  1.0 3.0
   60    59    48    49   0.15000  1.0 3.0
   60    59    48    50   0.15000  1.0 3.0
   61    59    48    44   0.15000  1.0 3.0
   61    59    48    49   0.15000  1.0 3.0
   61    59    48    50   0.15000  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    51   0.09850  1.0 1.0
   48    44    46    51   0.15250 -1.0 2.0
   48    44    46    51  -0.50650  1.0 3.0
   54    51    52    53   0.00000  1.0 1.0
   54    51    52    57  -0.18600  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
   38    30    36    37  10.50000 -1.0 2.0
   33    43    39    40  15.00000 -1.0 2.0
   41    42    40    39  15.00000 -1.0 2.0
   44    47    46    51   1.10000 -1.0 2.0
   52    54    51    46   1.10000 -1.0 2.0
   51    53    52    57   1.10000 -1.0 2.0
   59    58    57    52   1.10000 -1.0 2.0
   55    51    54    56  10.50000 -1.0 2.0
END
