REMARK  Name = BDB017628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.214  -2.938   1.211  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.650  -1.897   0.887  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.293  -0.900  -0.010  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.679  -1.225  -0.501  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.118  -0.327  -1.663  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.737   1.125  -1.398  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.305   1.208  -1.131  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.991   2.155  -0.938  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.670   0.248  -0.346  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -3.290   0.497   0.140  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.701  -0.440   1.002  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -1.409  -0.257   1.509  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.661   0.868   1.142  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.236   1.802   0.270  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.530   1.614  -0.232  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.404  -1.595   1.356  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -2.988  -2.285   1.965  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        0.732   1.083   1.698  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.738   1.368   0.664  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        2.025   0.203  -0.200  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        3.155  -0.740   0.277  0.00  0.00    +0.122 C 
ATOM     22  N   LIG    1        4.393  -0.006   0.593  0.00  0.00    -0.313 N 
ATOM     23  C   LIG    1        4.287   1.462   0.583  0.00  0.00    +0.122 C 
ATOM     24  C   LIG    1        2.981   1.883   1.292  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.601  -0.526   0.133  0.00  0.00    +0.121 A 
ATOM     26  N   LIG    1        6.538   0.319  -0.350  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        7.715  -0.190  -0.780  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        8.032  -1.534  -0.748  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        7.084  -2.405  -0.236  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        5.864  -1.896   0.211  0.00  0.00    +0.043 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 3