REMARK  Name = BDB014771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.376   3.659   3.247  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.261   3.202   2.114  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.679   2.403   1.137  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.214   2.244   1.020  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.870   1.083   0.158  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.620   0.476  -0.144  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.793  -0.554  -0.980  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.120  -0.618  -1.203  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.804   0.359  -0.552  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.262   0.618  -0.541  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.497   2.059  -0.045  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.447   3.529   2.092  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.547   0.935   0.375  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.500   1.736   0.990  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.879   0.486   0.231  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        2.902   1.197   0.878  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.245   0.807   0.771  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.613  -0.309   0.010  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        3.593  -1.019  -0.637  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        2.251  -0.627  -0.527  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        6.021  -0.721  -0.108  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1        6.619  -0.904  -1.361  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        7.949  -1.289  -1.422  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1        8.720  -1.505  -0.337  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1        8.131  -1.328   0.864  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        6.810  -0.942   1.027  0.00  0.00    +0.028 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.647  -1.664  -2.070  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.015  -2.896  -1.298  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -4.426  -3.126  -0.814  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -3.873  -3.959  -1.937  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5