REMARK  Name = BDB031513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.233   0.135   0.833  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        4.947  -1.140   0.095  0.00  0.00    +0.252 A 
ATOM      3  O   LIG    1        5.730  -2.084   0.104  0.00  0.00    -0.268 OA
ATOM      4  N   LIG    1        3.764  -1.209  -0.596  0.00  0.00    -0.321 N 
ATOM      5  H   LIG    1        3.586  -2.074  -1.088  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        2.832  -0.167  -0.625  0.00  0.00    +0.068 A 
ATOM      7  C   LIG    1        3.087   1.013   0.069  0.00  0.00    +0.088 A 
ATOM      8  N   LIG    1        2.244   2.067   0.092  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1        1.094   1.929  -0.608  0.00  0.00    +0.116 A 
ATOM     10  C   LIG    1        0.737   0.787  -1.326  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1        1.645  -0.281  -1.337  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        4.333   1.135   0.816  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        7.718   0.483   0.698  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1        6.523   0.211   1.601  0.00  0.00    +0.037 C 
ENDBRANCH   1  14
BRANCH  10  15
ATOM     15  C   LIG    1       -0.559   0.736  -2.099  0.00  0.00    +0.121 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.294  -0.522  -1.884  0.00  0.00    -0.291 NA
ATOM     17  C   LIG    1       -2.579  -0.507  -2.615  0.00  0.00    +0.130 C 
ATOM     18  C   LIG    1       -3.317  -0.065  -1.331  0.00  0.00    +0.201 C 
ATOM     19  C   LIG    1       -2.029  -0.510  -0.600  0.00  0.00    +0.130 C 
BRANCH  18  20
ATOM     20  O   LIG    1       -4.537  -0.785  -1.042  0.00  0.00    -0.485 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -5.164  -0.571   0.155  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -4.871   0.431   1.069  0.00  0.00    +0.157 A 
ATOM     23  N   LIG    1       -5.528   0.603   2.243  0.00  0.00    -0.241 NA
ATOM     24  C   LIG    1       -6.533  -0.266   2.516  0.00  0.00    +0.140 A 
ATOM     25  C   LIG    1       -6.903  -1.296   1.660  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1       -6.205  -1.443   0.462  0.00  0.00    +0.050 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -7.220  -0.068   3.763  0.00  0.00    +0.119 C 
ATOM     28  N   LIG    1       -7.801   0.059   4.762  0.00  0.00    -0.189 NA
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  15  16
ENDBRANCH  10  15
TORSDOF 6