REMARK  Name = BDB004105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.412  -0.384  -0.440  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -2.134  -0.978  -0.374  0.00  0.00    +0.154 A 
ATOM      3  N   LIG    1       -1.756  -2.293  -0.484  0.00  0.00    -0.126 NA
ATOM      4  N   LIG    1       -0.438  -2.360  -0.364  0.00  0.00    -0.064 NA
ATOM      5  N   LIG    1        0.020  -1.107  -0.163  0.00  0.00    -0.232 N 
ATOM      6  C   LIG    1       -1.003  -0.190  -0.171  0.00  0.00    +0.093 A 
ATOM      7  C   LIG    1       -1.066   1.199  -0.025  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -2.333   1.784  -0.097  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -3.483   1.013  -0.303  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        1.463  -0.899  -0.113  0.00  0.00    +0.195 C 
ATOM     11  C   LIG    1        1.912  -0.293   1.209  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        1.173   0.231   2.035  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1        3.252  -0.443   1.489  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        3.389  -0.384   2.495  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        4.180   0.425   0.986  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        5.030   0.891   1.746  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        4.083   0.897  -0.447  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1        3.489  -0.095  -1.433  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1        1.966  -0.149  -1.347  0.00  0.00    +0.037 C 
ENDBRANCH   5  10
BRANCH   1  21
ATOM     20  C   LIG    1       -5.777  -0.654  -0.432  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -4.486  -1.207  -0.652  0.00  0.00    -0.493 OA
ENDBRANCH   1  21
TORSDOF 2