REMARK  Name = BDB013020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.148  -0.310  -0.080  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.690  -1.133  -1.106  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.897  -1.737  -0.854  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.142  -2.526  -1.939  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.196  -2.359  -2.836  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.613  -1.550   0.332  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -2.091  -0.839   1.296  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.278  -1.477  -2.310  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.869  -0.239   1.063  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        3.514   0.430  -0.708  0.00  0.00    +0.122 A 
ATOM     11  N   LIG    1        3.595   1.734  -0.366  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        2.480   2.365   0.059  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1        1.248   1.756   0.180  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        1.143   0.411  -0.167  0.00  0.00    -0.008 A 
ATOM     15  C   LIG    1        2.291  -0.242  -0.634  0.00  0.00    +0.052 A 
BRANCH  10  20
ATOM     16  C   LIG    1        7.666  -0.043   1.875  0.00  0.00    +0.105 C 
ATOM     17  N   LIG    1        6.998  -0.356   0.615  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1        5.780  -1.164   0.855  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        5.012  -1.476  -0.453  0.00  0.00    +0.122 C 
ATOM     20  N   LIG    1        4.654  -0.238  -1.177  0.00  0.00    -0.313 N 
ATOM     21  C   LIG    1        5.837   0.621  -1.405  0.00  0.00    +0.122 C 
ATOM     22  C   LIG    1        6.625   0.890  -0.099  0.00  0.00    +0.103 C 
ENDBRANCH  10  20
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  N   LIG    1       -3.860  -2.109   0.527  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -4.116  -1.919   1.495  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.995  -1.774  -0.330  0.00  0.00    +0.140 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.197  -0.285  -0.442  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1       -5.746   0.471   0.591  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.196   0.066   1.945  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.937   1.339   2.352  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -6.419   2.449   1.586  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -5.877   1.849   0.477  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -5.472   2.537  -0.647  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1       -4.928   1.802  -1.699  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -4.793   0.407  -1.599  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5