REMARK  Name = BDB056520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.225   2.358  -1.047  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.650   1.299  -1.304  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.623   1.018  -0.838  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -1.334  -0.246  -1.065  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -2.458  -0.502  -0.049  0.00  0.00    +0.127 C 
ATOM      6  N   LIG    1       -3.389   0.624   0.068  0.00  0.00    -0.296 N 
ATOM      7  C   LIG    1       -4.704   0.519   0.511  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1       -5.449   1.502   0.532  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -2.858   1.955  -0.241  0.00  0.00    +0.127 C 
ATOM     10  C   LIG    1       -1.337   2.044  -0.070  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -5.218  -0.882   0.916  0.00  0.00    +0.204 C 
ATOM     12  O   LIG    1       -4.363  -1.570   1.846  0.00  0.00    -0.367 OA
ATOM     13  C   LIG    1       -5.153  -2.022   2.952  0.00  0.00    +0.161 C 
ATOM     14  C   LIG    1       -6.582  -2.037   2.467  0.00  0.00    +0.031 C 
ATOM     15  C   LIG    1       -6.601  -0.834   1.560  0.00  0.00    +0.043 C 
ENDBRANCH   7  11
BRANCH   2  16
ATOM     16  C   LIG    1        1.331   0.226  -2.141  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.636   0.718  -2.764  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.780   0.624  -1.781  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        3.823   1.584  -0.808  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        3.078   2.276  -0.742  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        4.775   1.617   0.179  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        4.774   2.452   1.075  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.801   0.563   0.099  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        5.685  -0.372  -0.933  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1        6.644  -1.383  -1.028  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        7.696  -1.455  -0.108  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.797  -0.514   0.918  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.847   0.501   1.026  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1        4.643  -0.335  -1.875  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4