REMARK  Name = BDB016167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.824   2.576  -1.313  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.130   1.299  -0.527  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.916   0.507  -0.461  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.050   1.043  -0.396  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.840  -0.739   0.170  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.885  -1.357   0.896  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.740  -2.691   1.330  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.573  -3.413   1.102  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.524  -2.815   0.422  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.101  -0.763   1.297  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.787  -1.369   1.732  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.509   0.532   1.337  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.620   0.787   1.810  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.650  -1.499  -0.050  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -3.607   1.630   0.869  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.484  -0.945  -0.822  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1        1.622  -0.602  -0.188  0.00  0.00    +0.083 C 
BRANCH  16  18
ATOM     18  C   LIG    1        0.330  -0.740  -2.293  0.00  0.00    +0.111 C 
ATOM     19  N   LIG    1        1.230  -0.237  -3.075  0.00  0.00    -0.307 NA
ATOM     20  H   LIG    1        0.867  -0.209  -4.035  0.00  0.00    +0.186 HD
ENDBRANCH  16  18
BRANCH  17  21
ATOM     21  N   LIG    1        2.751  -0.061  -0.742  0.00  0.00    -0.305 N 
ATOM     22  H   LIG    1        2.711   0.096  -1.755  0.00  0.00    +0.153 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.962   0.335  -0.184  0.00  0.00    +0.122 A 
ATOM     24  N   LIG    1        4.863   0.849  -1.050  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1        6.059   1.253  -0.569  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1        6.421   1.172   0.761  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.497   0.645   1.649  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.255   0.222   1.172  0.00  0.00    +0.044 A 
ENDBRANCH  21  23
ENDBRANCH  17  21
ENDBRANCH  14  16
TORSDOF 4