REMARK  Name = BDB023941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.659  -4.987   1.708  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.407  -4.215   2.037  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.159  -3.059   1.308  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.877  -2.383   1.584  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.899  -0.989   1.063  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.947   0.054   1.185  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.356   1.150   0.529  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.556   0.825   0.002  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.910  -0.461   0.285  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.125  -1.216  -0.108  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.841  -2.727   0.038  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.656  -4.608   2.930  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.329   0.027   1.895  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.568   0.185   1.214  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.766   0.123   1.946  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.994   0.266   1.276  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        4.044   0.473  -0.102  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.901   0.519  -0.815  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        2.721  -0.087   3.335  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.504  -0.234   3.999  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.718   0.387  -0.163  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        0.313  -0.177   3.283  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        5.245   0.593  -0.775  0.00  0.00    -0.312 N 
ATOM     24  C   LIG    1        5.234   0.960  -2.199  0.00  0.00    +0.072 C 
ATOM     25  C   LIG    1        5.265  -0.301  -3.059  0.00  0.00    +0.028 C 
ATOM     26  C   LIG    1        6.509   1.802  -2.373  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1        7.424   1.310  -1.264  0.00  0.00    +0.021 C 
ATOM     28  C   LIG    1        6.454   1.070  -0.113  0.00  0.00    +0.107 C 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -3.242   1.840  -0.787  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -4.676   2.117  -0.328  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -5.302   3.181  -1.217  0.00  0.00    +0.162 C 
ATOM     32  O   LIG    1       -5.247   2.774  -2.584  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -3.908   2.642  -3.058  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -3.177   1.551  -2.289  0.00  0.00    +0.055 C 
ENDBRANCH   8  29
TORSDOF 3