REMARK  Name = BDB001746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.603   1.077   0.790  0.00  0.00    +0.285 C 
ATOM      2  N   LIG    1        0.541   0.493   0.213  0.00  0.00    -0.162 N 
ATOM      3  C   LIG    1        0.755  -0.058  -1.051  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        2.014  -0.390  -1.183  0.00  0.00    -0.190 NA
ATOM      5  C   LIG    1        2.568  -0.053   0.021  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1        1.720   0.482   0.902  0.00  0.00    -0.137 NA
ATOM      7  O   LIG    1       -0.485   1.668   1.867  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -2.658  -0.119  -0.003  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1       -1.953   1.077   0.197  0.00  0.00    +0.083 A 
ATOM     10  C   LIG    1       -2.553   2.316  -0.066  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -3.848   2.362  -0.577  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.544   1.177  -0.809  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.954  -0.059  -0.523  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -2.803  -2.432   0.524  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -1.996  -1.282   0.286  0.00  0.00    -0.494 OA
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   5  16
ATOM     16  C   LIG    1        4.083  -0.281   0.338  0.00  0.00    +0.173 A 
ATOM     17  O   LIG    1        4.991  -0.828  -0.526  0.00  0.00    -0.460 OA
ATOM     18  C   LIG    1        6.189  -0.856   0.112  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1        6.073  -0.335   1.379  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        4.715   0.036   1.526  0.00  0.00    +0.053 A 
ENDBRANCH   5  16
BRANCH   3  21
ATOM     21  N   LIG    1       -0.168  -0.203  -2.031  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        0.220  -0.675  -2.847  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -1.031  -0.674  -1.770  0.00  0.00    +0.145 HD
ENDBRANCH   3  21
TORSDOF 4