* LIGAND DATABASE FILE (OPLS2005)
*
001      52    52     92    135     264
    1     0 S   NP   _N1_     1    28.14838    95.98882   -21.82043
    2     1 S   H    _HN1     2     1.02942    78.24621   -24.39056
    3     1 S   H    _H1_     3     1.02833    35.32173   120.40070
    4     1 S   H    _H2_     4     1.02774    99.02545  -131.34768
    5     1 S   CT   _CA1     5     1.50194   141.76918    83.83046
    6     5 S   HC   _HA1     6     1.09587   105.14073    81.36106
    7     5 S   CO3  _C1_     7     1.53818   111.75151   -38.49922
    8     7 S   O2Z  _O11     8     1.26365   115.05329   -55.37150
    9     7 S   O2Z  _O12     9     1.26213   114.85932   122.81455
   10     5 S   CT   _CB1    10     1.53053   107.27200  -161.09704
   11    10 S   HC   HB11    11     1.09843   109.37418   -49.79684
   12    10 S   HC   HB12    12     1.09800   110.55331    66.74755
   13    10 S   CT   _CG1    13     1.53019   112.60237  -170.67241
   14    13 S   HC   HG11    14     1.09590   110.65740   -64.96666
   15    13 S   HC   HG12    15     1.09658   109.82543    54.24774
   16    13 S   C    _CD1    16     1.51883   111.88065   174.71810
   17    16 S   O    _OE1    17     1.22813   123.24087     9.38192
   18    16 S   N    _N2_    18     1.38413   112.00856  -170.99235
   19    18 S   H    _HN2    19     1.01942   119.17819     1.16902
   20    18 S   CT1  _CA2    20     1.45819   122.84478   179.28673
   21    20 S   HC   _HA2    21     1.09740   108.59278    31.80193
   22    20 S   C    _C2_    22     1.52965   107.57440   -85.58536
   23    22 S   O    _O2_    23     1.22932   123.06217   -27.76765
   24    20 S   CT   _CB2    32     1.53189   111.99213   154.86366
   25    24 S   HC   HB21    33     1.09500   109.54612    56.28377
   26    24 S   HC   HB22    34     1.09566   110.78103   174.24183
   27    22 S   N    _N3_    24     1.38668   112.28166   155.08336
   28    27 S   H    _HN3    25     1.01490   119.68548     0.86139
   29    24 S   S    _SG2    35     1.82204   110.95840   -65.83259
   30    27 S   CT   _CA3    26     1.45450   122.88563   175.26596
   31    30 S   HC   HA31    27     1.09536   108.98803    29.51657
   32    30 S   HC   HA32    28     1.09480   107.15522   146.66486
   33    29 S   CM   _C6_    36     1.72142   100.73154   161.41070
   34    30 S   CO3  _C3_    29     1.53062   113.60309   -93.50867
   35    34 S   O2Z  _O31    30     1.26378   115.83418   -30.55684
   36    34 S   O2Z  _O32    31     1.26415   114.68203   150.34622
   37    33 S   CM   _C5_    37     1.33487   124.35440   113.76845
   38    37 S   CO4  _C8_    38     1.46848   106.40339  -179.41149
   39    38 S   O    _O34    39     1.21899   125.49610  -179.90309
   40    37 S   CT   _C4_    49     1.48424   132.54856    -0.12667
   41    40 S   HC   _H5_    50     1.09482   110.27183   120.13719
   42    40 S   HC   _H6_    51     1.09346   112.69186    -0.11869
   43    40 S   HC   _H7_    52     1.09484   110.30195  -120.34643
   44    38 S   OS   _O33    40     1.35976   109.06920     0.50552
   45    33 S   CT   _C7_    41     1.49636   123.93281   -66.75198
   46    45 S   HC   _H3_    42     1.09555   111.29132    64.42982
   47    45 S   CT   _C9_    43     1.53384   115.18483   -64.02982
   48    47 S   Cl   Cl1_    44     1.80451   110.04742  -169.04474
   49    47 S   HC   _H4_    45     1.09610   110.41677   -53.22373
   50    47 S   CO3  _C10    46     1.53521   115.04006    72.78110
   51    50 S   O2Z  _O36    47     1.26404   116.13811    41.21554
   52    50 S   O2Z  _O35    48     1.26431   114.62283  -138.74354
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  14   2   1   1  10   9   3   5   2   1   1   6   7   4   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    45    46    47    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    47    48    49    50    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    40    41    42    43  
   39    44    45    46    47    40    41    42    43  
   44    45    40  
   41    42    43    44    45  
   42    43  
   43  
    0  
   45    46    47    48    49    50  
   46    47    48    49    50    51    52  
   47    48    49    50  
   48    49    50    51    52  
   49    50    51    52  
   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  -0.175000   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   3.5500   0.0760  -0.061500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.4000   0.3000  -0.080000   2.1950   1.9500   0.001000000   0.320982824
   49   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.586000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   549.000  1.340
   33    45   317.000  1.510
   37    38   320.000  1.462
   37    40   317.000  1.510
   38    39   570.000  1.229
   38    44   214.000  1.327
   44    45   320.000  1.410
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   245.000  1.781
   47    49   340.000  1.090
   47    50   317.000  1.522
   50    51   656.000  1.250
   50    52   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    45    65.00000  117.37300
   33    37    38    65.00000  118.96000
   33    37    40    70.00000  124.00000
   33    45    44    85.00000  110.90400
   33    45    46    35.00000  109.50000
   33    45    47    70.00000  112.02700
   37    38    39    80.00000  123.72100
   37    38    44    90.00000  111.29400
   37    40    41    35.00000  109.50000
   37    40    42    35.00000  109.50000
   37    40    43    35.00000  109.50000
   38    44    45    83.00000  116.90000
   44    38    39    83.00000  123.40000
   44    45    46    35.00000  109.50000
   44    45    47    50.00000  109.50000
   45    33    37    70.00000  124.00000
   45    47    48    69.00000  109.80000
   45    47    49    37.50000  110.70000
   45    47    50    70.00000  109.69300
   47    45    46    37.50000  110.70000
   47    50    51    70.00000  117.00000
   47    50    52    70.00000  117.00000
   49    47    48    51.00000  107.60000
   50    47    48    69.00000  109.80000
   50    47    49    35.00000  109.50000
   52    50    51    80.00000  126.00000
   40    37    38    65.00000  116.34900
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
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   0.00000  1.0 1.0
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   1.00000 -1.0 2.0
   24    29    33    45   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    40   7.00000 -1.0 2.0
   29    33    45    44   0.09700  1.0 1.0
   29    33    45    44   0.15600 -1.0 2.0
   29    33    45    44  -0.50800  1.0 3.0
   29    33    45    46   0.00000  1.0 1.0
   29    33    45    47   0.09700  1.0 1.0
   29    33    45    47   0.15600 -1.0 2.0
   29    33    45    47  -0.50800  1.0 3.0
   33    37    38    39   1.00000 -1.0 2.0
   33    37   -38    44  -0.56150  1.0 1.0
   33    37   -38    44   2.19150 -1.0 2.0
   33    37    40    41   0.00000  1.0 1.0
   33    37    40    42   0.00000  1.0 1.0
   33    37    40    43   0.00000  1.0 1.0
   33    45    47    48   0.56750  1.0 1.0
   33    45    47    48  -0.07550 -1.0 2.0
   33    45    47    48   0.20000  1.0 3.0
   33    45    47    49   0.15000  1.0 3.0
   33    45    47    50  -0.98800  1.0 1.0
   33    45    47    50   0.48800 -1.0 2.0
   33    45    47    50   0.76800  1.0 3.0
   37    33   -45    44   0.39000  1.0 1.0
   37    33   -45    44  -0.05800 -1.0 2.0
   37    33   -45    44  -0.55150  1.0 3.0
   37    33    45    46   0.00000  1.0 1.0
   37    33    45    47   0.09850  1.0 1.0
   37    33    45    47   0.15250 -1.0 2.0
   37    33    45    47  -0.50650  1.0 3.0
   37    38   -44    45   2.00000 -1.0 2.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42   0.15000  1.0 3.0
   38    37    40    43   0.15000  1.0 3.0
   38    44   -45    33  -0.82050  1.0 1.0
   38    44   -45    33   0.00600 -1.0 2.0
   38    44   -45    33   0.04400  1.0 3.0
   38    44    45    46   0.08050  1.0 3.0
   38    44    45    47  -0.25900  1.0 1.0
   38    44    45    47  -0.47000 -1.0 2.0
   38    44    45    47   0.11750  1.0 3.0
   39    38    44    45   3.00000 -1.0 2.0
   44    45    47    48   0.56750  1.0 1.0
   44    45    47    48  -0.07550 -1.0 2.0
   44    45    47    48   0.20000  1.0 3.0
   44    45    47    49   0.23400  1.0 3.0
   44    45    47    50  -3.35100  1.0 1.0
   44    45    47    50  -0.37050 -1.0 2.0
   44    45    47    50   0.22400  1.0 3.0
   45    33   -37    38   7.00000 -1.0 2.0
   45    33    37    40   7.00000 -1.0 2.0
   45    47    50    51   0.41150 -1.0 2.0
   45    47    50    52   0.41150 -1.0 2.0
   46    45    47    48   0.27000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    50  -0.11250  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   49    47    50    51   0.00000  1.0 1.0
   49    47    50    52   0.00000  1.0 1.0
   40    37    38    39  -0.64400  1.0 1.0
   40    37    38    39   0.26850 -1.0 2.0
   40    37    38    44  -0.15000  1.0 1.0
   40    37    38    44   0.89550 -1.0 2.0
   40    37    38    44  -0.06900  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
   35    30    34    36  10.50000 -1.0 2.0
   29    45    33    37   1.10000 -1.0 2.0
   38    40    37    33   1.10000 -1.0 2.0
   37    44    38    39  10.50000 -1.0 2.0
   51    47    50    52  10.50000 -1.0 2.0
END
