REMARK  Name = BDB003750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.612  -0.213  -0.123  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.583   0.488   0.133  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.458   1.880   0.244  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        1.598   2.637   0.484  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.860   2.049   0.625  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.991   0.669   0.529  0.00  0.00    +0.026 A 
ATOM      7  N   LIG    1       -0.710   2.512   0.131  0.00  0.00    -0.225 NA
ATOM      8  C   LIG    1       -1.789   1.748  -0.087  0.00  0.00    +0.198 A 
ATOM      9  C   LIG    1        1.860  -0.110   0.288  0.00  0.00    +0.030 A 
ATOM     10  N   LIG    1       -1.794   0.413  -0.221  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.083   2.406  -0.197  0.00  0.00    +0.172 A 
ATOM     12  O   LIG    1       -3.107   3.772  -0.094  0.00  0.00    -0.460 OA
ATOM     13  C   LIG    1       -4.400   4.164  -0.225  0.00  0.00    +0.196 A 
ATOM     14  C   LIG    1       -5.219   3.076  -0.411  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1       -4.372   1.942  -0.394  0.00  0.00    +0.053 A 
ENDBRANCH   8  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.565  -1.619  -0.265  0.00  0.00    -0.326 N 
ATOM     17  H   LIG    1        0.116  -1.830  -0.991  0.00  0.00    +0.148 HD
BRANCH  16  19
ATOM     18  C   LIG    1       -2.597  -2.488   0.818  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -1.841  -2.307  -0.499  0.00  0.00    +0.066 C 
ATOM     20  C   LIG    1       -1.543  -3.682  -1.105  0.00  0.00    +0.027 C 
ENDBRANCH  16  19
ENDBRANCH   1  16
BRANCH   6  21
ATOM     21  C   LIG    1        4.271   0.051   0.678  0.00  0.00    -0.064 C 
ATOM     22  C   LIG    1        5.342  -0.479   0.799  0.00  0.00    -0.069 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.642  -1.129   0.946  0.00  0.00    +0.244 C 
BRANCH  23  24
ATOM     24  O   LIG    1        6.655  -2.332   0.191  0.00  0.00    -0.383 OA
ATOM     25  H   LIG    1        7.531  -2.731   0.321  0.00  0.00    +0.211 HD
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   6  21
TORSDOF 6