REMARK  Name = BDB043014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.090   3.788  -1.414  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.151   2.535  -0.884  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.065   2.074  -0.381  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.173   0.806   0.243  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.061   0.057   0.327  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -1.211   0.610  -0.249  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        2.071   2.973  -0.591  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -1.295   1.793  -0.807  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        1.470   3.996  -1.198  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -0.508   5.027  -3.511  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -0.899   4.707  -2.066  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -1.083   5.996  -1.263  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -2.388  -0.100  -0.197  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -3.109   0.447  -0.671  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.483  -1.507  -0.555  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.692  -2.179   0.113  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -5.041  -1.543  -0.254  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1       -6.216  -2.305   0.406  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1       -5.873  -3.002   1.652  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -6.715  -3.111   2.218  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -4.856  -2.276   2.401  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -3.526  -2.273   1.645  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1       -5.204  -1.519  -1.671  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -5.301  -2.439  -1.976  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1        2.432   0.449   0.738  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        3.134   1.133   0.428  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        2.956  -0.907   0.797  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.315  -1.045   1.429  0.00  0.00    -0.016 A 
ATOM     29  C   LIG    1        5.356  -1.952   0.982  0.00  0.00    -0.006 A 
ATOM     30  C   LIG    1        6.500  -1.856   1.781  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.646  -2.640   1.537  0.00  0.00    +0.015 A 
ATOM     32  C   LIG    1        7.639  -3.540   0.471  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        6.519  -3.660  -0.338  0.00  0.00    +0.001 A 
ATOM     34  S   LIG    1        6.301  -0.697   3.036  0.00  0.00    -0.096 S 
ATOM     35  C   LIG    1        5.385  -2.879  -0.093  0.00  0.00    +0.009 A 
ATOM     36  C   LIG    1        4.719  -0.326   2.539  0.00  0.00    +0.051 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8