REMARK  Name = BDB059118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.962  -0.194   0.824  0.00  0.00    +0.120 C 
ATOM      2  C   LIG    1       -1.219  -1.540   0.857  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        0.252  -1.123   0.944  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        0.359   0.064  -0.016  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -0.989   0.799   0.155  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -6.722   0.505   0.150  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -5.443   0.062  -0.218  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1       -4.862  -0.571  -1.349  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -3.516  -0.731  -1.094  0.00  0.00    +0.089 A 
ATOM     10  N   LIG    1       -3.259  -0.238   0.165  0.00  0.00    -0.326 N 
ATOM     11  C   LIG    1       -4.421   0.270   0.699  0.00  0.00    +0.146 A 
ATOM     12  N   LIG    1       -4.542   0.867   1.897  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -5.808   1.247   2.137  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -6.889   1.097   1.347  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -7.848   0.352  -0.649  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -7.824  -0.460  -1.249  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -8.687   0.472  -0.092  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -1.577  -2.334   1.985  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1       -1.117  -1.922   2.746  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        0.518  -0.683   2.283  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.462  -0.438   2.323  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1        0.581  -0.336  -1.489  0.00  0.00    +0.011 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.885  -1.097  -1.770  0.00  0.00    +0.035 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.123  -0.359  -1.329  0.00  0.00    -0.045 A 
ATOM     25  C   LIG    1        3.842  -0.789  -0.201  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1        4.963  -0.116   0.263  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1        5.393   1.029  -0.439  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.526   1.704   0.035  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1        7.184   1.237   1.166  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.684   0.108   1.788  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        4.692   1.466  -1.575  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1        5.594  -0.568   1.361  0.00  0.00    -0.255 NA
ATOM     33  C   LIG    1        3.562   0.776  -2.015  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 7