* LIGAND DATABASE FILE (OPLS2005)
*
001      50    50     91    137     267
    1     0 S   NP   _N1_     1    28.93658    94.15925   -20.53266
    2     1 S   H    _HN1     2     1.02835    29.75791   147.86781
    3     1 S   H    _H1_     3     1.02775    86.26359   -74.80555
    4     1 S   H    _H2_     4     1.02962    95.76077    33.28051
    5     1 S   CT   _CA1     5     1.50129   139.67148   164.53496
    6     5 S   HC   _HA1     6     1.09570   105.24192    50.38090
    7     5 S   CO3  _C1_     7     1.53834   112.38052   -69.84601
    8     7 S   O2Z  _O11     8     1.26358   115.00211   -42.42682
    9     7 S   O2Z  _O12     9     1.26244   114.92679   136.71010
   10     5 S   CT   _CB1    10     1.53090   107.42300   168.34585
   11    10 S   HC   HB11    11     1.09818   109.41790   -49.98895
   12    10 S   HC   HB12    12     1.09815   110.35973    66.55359
   13    10 S   CT   _CG1    13     1.52992   112.66665  -171.09607
   14    13 S   HC   HG11    14     1.09547   110.41865   -60.63554
   15    13 S   HC   HG12    15     1.09637   110.09828    58.41161
   16    13 S   C    _CD1    16     1.51828   112.21456   178.48354
   17    16 S   O    _OE1    17     1.22722   123.20539   -12.28103
   18    16 S   N    _N2_    18     1.38579   111.67513   168.63778
   19    18 S   H    _HN2    19     1.01594   118.94225     0.57607
   20    18 S   CT1  _CA2    20     1.46220   123.51777  -179.81655
   21    20 S   HC   _HA2    21     1.09732   109.40035   -15.14704
   22    20 S   C    _C2_    22     1.53440   108.03112  -130.71830
   23    22 S   O    _O2_    23     1.23000   122.32874  -144.77356
   24    20 S   CT   _CB2    32     1.53367   111.32931   107.19502
   25    24 S   HC   HB21    33     1.09507   109.82791    53.33736
   26    24 S   HC   HB22    34     1.09513   110.69021   171.53554
   27    22 S   N    _N3_    24     1.38536   113.29077    42.51827
   28    27 S   H    _HN3    25     1.01531   118.92265    -0.49496
   29    24 S   S    _SG2    35     1.82902   111.88986   -69.72110
   30    27 S   CT   _CA3    26     1.45454   123.44096   175.13043
   31    30 S   HC   HA31    27     1.09523   109.22748    24.47672
   32    30 S   HC   HA32    28     1.09495   107.11945   141.48612
   33    29 S   CT   _C8_    36     1.84690    99.98926   140.68657
   34    33 S   HC   _H3_    37     1.09771   105.62079    39.89303
   35    30 S   CO3  _C3_    29     1.52931   113.14015   -98.99143
   36    35 S   O2Z  _O31    30     1.26401   115.42121   -43.79863
   37    35 S   O2Z  _O32    31     1.26357   114.96887   137.13745
   38    33 S   CT   _C7_    38     1.55771   111.70285   -77.91844
   39    38 S   Cl   CL10    39     1.80699   112.38366   -53.03881
   40    38 S   HC   _H14    40     1.09562   109.36997    64.93250
   41    38 S   CM   _C5_    41     1.50709   111.97817  -172.99087
   42    41 S   Cl   _CL8    42     1.73223   116.27401  -160.34871
   43    41 S   CM   _C4_    43     1.34108   123.86787    17.71356
   44    43 S   HC   _H12    44     1.08807   119.95459  -179.42665
   45    43 S   CT   _C6_    45     1.50432   123.25721    -0.90244
   46    45 S   Cl   _CL9    46     1.80282   105.72058  -109.72851
   47    45 S   HC   _H13    47     1.09549   109.39319   135.99540
   48    33 S   CT   _C9_    48     1.55059   113.34691   157.46645
   49    48 S   Cl   CL11    49     1.79763   113.55029   -48.94113
   50    48 S   HC   _H16    50     1.09679   109.06078    67.06408
  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  10   5   4   3
  13   8   2   1   1  10   5   4   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    48    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    47    48    49    50  
   38    39    40    41    45    48    49    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    49    50  
   40    41    42    43    48  
   41    42    43    48  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45    46    47    48    49    50  
   45    46    47    48  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50  
   49    50  
   50  
    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   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   40   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   47   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   50   2.5000   0.0300   0.103000   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    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   268.000  1.529
   33    48   268.000  1.529
   38    39   245.000  1.781
   38    40   340.000  1.090
   38    41   317.000  1.510
   41    42   300.000  1.725
   41    43   549.000  1.340
   43    44   340.000  1.080
   43    45   317.000  1.510
   45    46   245.000  1.781
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   245.000  1.781
   48    50   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    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  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    69.00000  109.80000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.02700
   33    48    45    58.35000  112.70000
   33    48    49    69.00000  109.80000
   33    48    50    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    75.00000  111.02000
   38    41    43    70.00000  124.00000
   40    38    39    51.00000  107.60000
   41    38    39    75.00000  111.90500
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  120.00000
   41    43    45    70.00000  124.00000
   43    41    42    75.00000  121.50000
   43    45    46    75.00000  111.90500
   43    45    47    35.00000  109.50000
   43    45    48    70.00000  112.02700
   45    43    44    35.00000  117.00000
   45    48    49    69.00000  109.80000
   45    48    50    37.50000  110.70000
   47    45    46    51.00000  107.60000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    45    46    69.00000  109.80000
   48    45    47    37.50000  110.70000
   50    48    49    51.00000  107.60000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    48    45   0.44750  1.0 1.0
   29    33    48    45  -0.17800 -1.0 2.0
   29    33    48    45   0.20200  1.0 3.0
   29    33    48    49   0.56750  1.0 1.0
   29    33    48    49  -0.07550 -1.0 2.0
   29    33    48    49   0.20000  1.0 3.0
   29    33    48    50   0.15000  1.0 3.0
   33    38    41    42   0.09700  1.0 1.0
   33    38    41    42   0.15600 -1.0 2.0
   33    38    41    42  -0.50800  1.0 3.0
   33    38    41    43   0.09850  1.0 1.0
   33    38    41    43   0.15250 -1.0 2.0
   33    38    41    43  -0.50650  1.0 3.0
   34    33    38    39   0.27000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    48    45   0.15000  1.0 3.0
   34    33    48    49   0.27000  1.0 3.0
   34    33    48    50   0.15000  1.0 3.0
   38    33    48    45   0.56750  1.0 1.0
   38    33    48    45  -0.07550 -1.0 2.0
   38    33    48    45   0.20000  1.0 3.0
   38    33    48    49   0.35600  1.0 1.0
   38    33    48    49  -0.14650 -1.0 2.0
   38    33    48    49   0.33350  1.0 3.0
   38    33    48    50   0.15000  1.0 3.0
   38    41    43    44   7.00000 -1.0 2.0
   38    41   -43    45   7.00000 -1.0 2.0
   39    38    41    42   0.09700  1.0 1.0
   39    38    41    42   0.15600 -1.0 2.0
   39    38    41    42  -0.50800  1.0 3.0
   39    38    41    43   0.09700  1.0 1.0
   39    38    41    43   0.15600 -1.0 2.0
   39    38    41    43  -0.50800  1.0 3.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    45    46   0.09700  1.0 1.0
   41    43    45    46   0.15600 -1.0 2.0
   41    43    45    46  -0.50800  1.0 3.0
   41    43    45    47   0.00000  1.0 1.0
   41    43    45    48   0.09850  1.0 1.0
   41    43    45    48   0.15250 -1.0 2.0
   41    43    45    48  -0.50650  1.0 3.0
   42    41    43    44   7.00000 -1.0 2.0
   42    41    43    45   7.00000 -1.0 2.0
   43    45   -48    33   0.34400  1.0 1.0
   43    45   -48    33   0.09450 -1.0 2.0
   43    45   -48    33   0.11100  1.0 3.0
   43    45    48    49   0.56750  1.0 1.0
   43    45    48    49  -0.07550 -1.0 2.0
   43    45    48    49   0.20000  1.0 3.0
   43    45    48    50   0.15000  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.33100  1.0 3.0
   44    43    45    48   0.00000  1.0 1.0
   46    45    48    33   0.35600  1.0 1.0
   46    45    48    33  -0.14650 -1.0 2.0
   46    45    48    33   0.33350  1.0 3.0
   46    45    48    49   0.22500  1.0 1.0
   46    45    48    50   0.27000  1.0 3.0
   47    45    48    33   0.15000  1.0 3.0
   47    45    48    49   0.27000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   48    33    38    39   0.35600  1.0 1.0
   48    33    38    39  -0.14650 -1.0 2.0
   48    33    38    39   0.33350  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41   0.34400  1.0 1.0
   48    33   -38    41   0.09450 -1.0 2.0
   48    33   -38    41   0.11100  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
   38    42    41    43   1.10000 -1.0 2.0
   45    44    43    41   1.10000 -1.0 2.0
END
