REMARK  Name = BDB013084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.768   0.177   0.183  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.106  -0.315  -0.983  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.233  -0.604  -0.877  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.605  -1.075  -2.103  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.423  -1.054  -2.920  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.975  -0.426   0.298  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.366   0.014   1.366  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.503  -0.572  -2.215  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.984   0.291   1.280  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.309   2.693   1.658  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        3.854   1.571   0.852  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        3.167   0.500   0.214  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        4.157  -0.208  -0.431  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1        5.331   0.428  -0.155  0.00  0.00    -0.268 N 
ATOM     15  N   LIG    1        5.176   1.502   0.642  0.00  0.00    -0.176 NA
BRANCH  14  16
ATOM     16  C   LIG    1        6.665   0.069  -0.625  0.00  0.00    +0.101 C 
ATOM     17  C   LIG    1        7.086  -1.310  -0.117  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        6.766   0.158  -2.147  0.00  0.00    +0.032 C 
ENDBRANCH  14  16
ENDBRANCH   1  12
BRANCH   6  19
ATOM     19  N   LIG    1       -2.320  -0.720   0.295  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.816  -0.772  -0.586  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.165  -0.411   1.433  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.582  -0.803   1.110  0.00  0.00    -0.024 A 
ATOM     23  C   LIG    1       -5.496   0.098   0.571  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.362   1.548   0.292  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -6.629   1.763  -0.535  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -7.575   0.713  -0.233  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.793  -0.295   0.269  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -7.239  -1.583   0.479  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -6.336  -2.510   0.996  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.019  -2.126   1.304  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5