REMARK  Name = BDB003837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.390  -0.813  -0.715  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -0.535   0.235  -0.257  0.00  0.00    +0.121 C 
ATOM      3  C   LIG    1       -1.958  -0.364  -0.393  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -2.465  -0.822   0.980  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -1.721  -1.206   1.879  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.817  -0.956   1.136  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -3.920  -1.572   1.940  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -4.498   0.157   1.545  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.021   0.177   2.658  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.679   1.294   0.566  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -3.430   1.721  -0.189  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -2.917   0.610  -1.099  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -1.737  -1.606  -1.276  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -0.326  -2.066  -0.930  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  19
ATOM     15  C   LIG    1        3.762   0.524   0.180  0.00  0.00    +0.152 A 
ATOM     16  C   LIG    1        4.500  -0.658   0.137  0.00  0.00    +0.168 A 
ATOM     17  C   LIG    1        3.911  -1.884  -0.171  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        2.544  -1.927  -0.450  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        1.743  -0.772  -0.417  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        2.390   0.446  -0.107  0.00  0.00    +0.071 A 
BRANCH  16  21
ATOM     21  N   LIG    1        5.924  -0.641   0.404  0.00  0.00    +0.060 N 
ATOM     22  O   LIG    1        6.650  -0.036  -0.397  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1        6.317  -1.288   1.386  0.00  0.00    -0.126 OA
ENDBRANCH  16  21
BRANCH  15  25
ATOM     24  C   LIG    1        3.701   2.894   0.486  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        4.425   1.672   0.519  0.00  0.00    -0.493 OA
ENDBRANCH  15  25
ENDBRANCH   1  19
TORSDOF 3