REMARK  Name = BDB003833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.252   0.344  -0.485  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -0.989   0.762   0.161  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -2.122   0.192  -0.726  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -2.535  -1.192  -0.220  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -2.445  -2.202  -0.922  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.047  -1.337   1.053  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -3.132  -2.309   1.327  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -3.656  -0.496   1.957  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.022  -0.944   3.044  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.861   0.956   1.602  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -4.398   1.125   0.195  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -3.330   1.131  -0.895  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -1.402   0.071  -2.092  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1        0.021  -0.347  -1.734  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  19
ATOM     15  C   LIG    1        6.121  -0.811   0.748  0.00  0.00    +0.150 C 
ATOM     16  N   LIG    1        4.813  -0.744   0.140  0.00  0.00    -0.335 N 
ATOM     17  C   LIG    1        3.735  -0.099   0.690  0.00  0.00    +0.145 A 
ATOM     18  C   LIG    1        2.650  -0.243  -0.171  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1        1.430   0.358   0.225  0.00  0.00    +0.134 A 
ATOM     20  N   LIG    1        1.431   1.021   1.417  0.00  0.00    -0.220 NA
ATOM     21  C   LIG    1        2.559   1.080   2.147  0.00  0.00    +0.225 A 
ATOM     22  C   LIG    1        3.129  -1.018  -1.272  0.00  0.00    +0.032 A 
ATOM     23  N   LIG    1        3.754   0.552   1.864  0.00  0.00    -0.218 NA
ATOM     24  C   LIG    1        4.460  -1.309  -1.055  0.00  0.00    +0.088 A 
ENDBRANCH   1  19
TORSDOF 1