REMARK  Name = BDB008510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.271   0.233   0.310  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.928  -0.050   0.847  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -2.034   0.231   0.133  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.959   0.834  -1.101  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.698   1.094  -1.572  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        0.420   0.795  -0.894  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.361  -0.106   1.108  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1        1.018  -0.508   1.967  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1        5.579   0.158   0.796  0.00  0.00    +0.100 A 
ATOM     10  C   LIG    1        4.774   0.613  -0.253  0.00  0.00    +0.133 A 
ATOM     11  C   LIG    1        3.378   0.534  -0.169  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        2.748   0.001   0.961  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        3.566  -0.453   2.008  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        4.962  -0.378   1.931  0.00  0.00    +0.020 A 
BRANCH   9  16
ATOM     15  O   LIG    1        7.797  -0.181   1.676  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1        7.061   0.205   0.787  0.00  0.00    +0.340 C 
BRANCH  16  17
ATOM     17  O   LIG    1        7.567   0.737  -0.345  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        8.537   0.695  -0.191  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
BRANCH  10  19
ATOM     19  O   LIG    1        5.272   1.153  -1.409  0.00  0.00    -0.506 OA
ATOM     20  H   LIG    1        6.250   1.152  -1.339  0.00  0.00    +0.292 HD
ENDBRANCH  10  19
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  21
ATOM     21  N   LIG    1       -3.242  -0.082   0.756  0.00  0.00    -0.298 N 
ATOM     22  H   LIG    1       -3.068  -0.389   1.709  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.529  -0.424   0.298  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1       -5.621  -0.389   1.192  0.00  0.00    +0.062 A 
ATOM     25 CL   LIG    1       -5.384   0.000   2.864  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1       -6.924  -0.672   0.768  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -7.164  -0.996  -0.564  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.103  -1.040  -1.464  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.801  -0.753  -1.037  0.00  0.00    +0.025 A 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 7