REMARK  Name = BDB013135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.253  -0.599   0.279  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.582  -1.749   0.260  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        1.905  -1.563  -0.059  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.465  -2.807  -0.033  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.558  -3.697   0.304  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.462  -0.309  -0.344  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.687   0.743  -0.333  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.368  -3.029   0.489  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.350   0.569  -0.035  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.437  -0.750   1.044  0.00  0.00    +0.055 A 
ATOM     11  N   LIG    1       -3.870  -1.676   0.233  0.00  0.00    -0.258 NA
ATOM     12  C   LIG    1       -2.533  -1.598   0.024  0.00  0.00    +0.119 A 
ATOM     13  C   LIG    1       -1.704  -0.619   0.567  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -2.313   0.316   1.411  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.686   0.254   1.653  0.00  0.00    +0.025 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -5.936  -0.842   1.282  0.00  0.00    +0.140 C 
BRANCH  16  23
ATOM     17  O   LIG    1      -10.246  -0.611  -0.870  0.00  0.00    -0.274 OA
ATOM     18  C   LIG    1       -9.159  -0.097  -0.612  0.00  0.00    +0.227 C 
ATOM     19  N   LIG    1       -8.840   1.126  -1.149  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1       -9.487   1.428  -1.867  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -7.468   1.575  -1.206  0.00  0.00    +0.119 C 
ATOM     22  C   LIG    1       -6.655   1.134   0.017  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1       -6.768  -0.322   0.177  0.00  0.00    -0.287 NA
ATOM     24  C   LIG    1       -8.184  -0.703   0.407  0.00  0.00    +0.180 C 
ENDBRANCH  16  23
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  25
ATOM     25  N   LIG    1        3.806  -0.220  -0.628  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1        4.425  -0.978  -0.366  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.467   1.061  -0.785  0.00  0.00    +0.140 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.931   0.828  -1.046  0.00  0.00    -0.024 A 
ATOM     29  C   LIG    1        6.872   0.803  -0.021  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.716   1.066   1.430  0.00  0.00    +0.080 C 
ATOM     31  C   LIG    1        8.077   0.573   1.923  0.00  0.00    +0.234 C 
ATOM     32  O   LIG    1        9.015   0.601   0.824  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1        8.214   0.572  -0.288  0.00  0.00    +0.124 A 
ATOM     34  C   LIG    1        8.682   0.351  -1.566  0.00  0.00    +0.046 A 
ATOM     35  C   LIG    1        7.755   0.348  -2.608  0.00  0.00    +0.004 A 
ATOM     36  C   LIG    1        6.393   0.578  -2.351  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   6  25
TORSDOF 6