REMARK  Name = BDB001750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.624   0.035  -1.667  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1        0.178   0.277  -0.368  0.00  0.00    -0.166 N 
ATOM      3  C   LIG    1       -1.109   0.309   0.201  0.00  0.00    +0.255 C 
ATOM      4  O   LIG    1       -1.251   0.676   1.364  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1        1.266   0.485   0.429  0.00  0.00    -0.141 NA
ATOM      6  C   LIG    1        2.297   0.245  -0.389  0.00  0.00    +0.184 A 
ATOM      7  N   LIG    1        1.929  -0.039  -1.680  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        3.696   0.293   0.030  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        4.042   0.604   1.353  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        5.383   0.648   1.747  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.390   0.381   0.822  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        6.061   0.071  -0.496  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.721   0.027  -0.890  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
BRANCH   1  14
ATOM     14  N   LIG    1       -0.147  -0.094  -2.774  0.00  0.00    -0.327 N 
ATOM     15  H   LIG    1       -0.737   0.704  -3.005  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1        0.425  -0.285  -3.599  0.00  0.00    +0.145 HD
ENDBRANCH   1  14
BRANCH   3  17
ATOM     17  C   LIG    1       -2.225  -0.127  -0.719  0.00  0.00    +0.136 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.557  -0.308  -0.023  0.00  0.00    -0.038 A 
ATOM     19  C   LIG    1       -3.958  -1.574   0.428  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.184  -1.739   1.073  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.018  -0.642   1.280  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.625   0.623   0.846  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.399   0.791   0.199  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4