REMARK  Name = BDB014068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.324   2.750   0.422  0.00  0.00    +0.130 C 
ATOM      2  N   LIG    1       -4.104   1.557   0.100  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.465   0.308  -0.001  0.00  0.00    +0.133 A 
ATOM      4  N   LIG    1       -2.091   0.240   0.013  0.00  0.00    -0.200 NA
ATOM      5  C   LIG    1       -1.484  -0.904  -0.054  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -2.194  -2.065  -0.151  0.00  0.00    -0.295 N 
ATOM      7  H   LIG    1       -1.728  -2.946  -0.265  0.00  0.00    +0.172 HD
ATOM      8  C   LIG    1       -3.550  -2.103  -0.203  0.00  0.00    +0.258 A 
ATOM      9  O   LIG    1       -4.163  -3.161  -0.318  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -4.226  -0.800  -0.108  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -5.725  -0.792  -0.147  0.00  0.00    +0.045 C 
ATOM     12  C   LIG    1       -6.289   0.602  -0.410  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1       -5.535   1.644   0.403  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   5  14
ATOM     14  N   LIG    1       -0.107  -0.988  -0.041  0.00  0.00    -0.299 N 
ATOM     15  C   LIG    1        0.695   0.244  -0.161  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1        2.123  -0.066  -0.660  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1        2.889  -1.036   0.159  0.00  0.00    -0.294 NA
ATOM     18  C   LIG    1        1.984  -1.861   0.986  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1        0.648  -2.201   0.294  0.00  0.00    +0.123 C 
BRANCH  17  20
ATOM     20  C   LIG    1        3.887  -0.366   1.020  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.040   0.266   0.258  0.00  0.00    +0.055 A 
ATOM     22  N   LIG    1        5.232   1.602   0.413  0.00  0.00    -0.259 NA
ATOM     23  C   LIG    1        6.258   2.162  -0.264  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        7.113   1.457  -1.093  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.905   0.092  -1.242  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        5.856  -0.516  -0.559  0.00  0.00    +0.024 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   5  14
TORSDOF 3