REMARK  Name = BDB056947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.557  -0.830  -0.256  0.00  0.00    +0.280 C 
ATOM      2  N   LIG    1       -1.486   0.152   0.132  0.00  0.00    -0.176 N 
ATOM      3  C   LIG    1       -2.859   0.191  -0.059  0.00  0.00    +0.098 A 
ATOM      4  C   LIG    1       -3.240   1.379   0.553  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -4.590   1.761   0.553  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -5.524   0.924  -0.069  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -5.122  -0.266  -0.678  0.00  0.00    +0.002 A 
ATOM      8  N   LIG    1       -2.146   2.001   1.080  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -3.779  -0.660  -0.687  0.00  0.00    +0.030 A 
ATOM     10  N   LIG    1       -1.085   1.247   0.832  0.00  0.00    -0.057 NA
ATOM     11  O   LIG    1       -1.002  -1.852  -0.781  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        3.713  -0.691   0.262  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        3.013  -1.897   0.338  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        1.626  -1.927   0.171  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        0.918  -0.742  -0.066  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1        1.621   0.463  -0.164  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        3.012   0.488   0.006  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.819   0.402   0.405  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        5.062  -0.801   0.446  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
TORSDOF 2