REMARK  Name = BDB022312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.538  -0.103  -0.577  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1        0.193  -0.235  -0.197  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -0.630   0.877   0.091  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.041   0.698   0.528  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.777   1.804   0.693  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -2.261   3.175   0.503  0.00  0.00    +0.253 A 
ATOM      7  N   LIG    1       -0.927   3.307   0.159  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -0.391   4.648  -0.011  0.00  0.00    +0.152 C 
ATOM      9  O   LIG    1       -3.036   4.115   0.674  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -0.097   2.169  -0.065  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        1.239   2.307  -0.468  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.039   1.187  -0.724  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        2.272  -1.266  -0.885  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.806  -2.115  -0.578  0.00  0.00    +0.154 HD
BRANCH  13  17
ATOM     15  C   LIG    1        5.848  -0.735  -0.837  0.00  0.00    +0.319 A 
ATOM     16  N   LIG    1        4.538  -0.487  -0.695  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1        3.672  -1.480  -0.981  0.00  0.00    +0.148 A 
ATOM     18  C   LIG    1        4.131  -2.720  -1.422  0.00  0.00    +0.099 A 
ATOM     19 CL   LIG    1        3.082  -4.033  -1.795  0.00  0.00    -0.078 Cl
ATOM     20  C   LIG    1        5.495  -2.870  -1.534  0.00  0.00    +0.139 A 
ATOM     21  N   LIG    1        6.380  -1.896  -1.248  0.00  0.00    -0.202 NA
BRANCH  15  23
ATOM     22  C   LIG    1        8.048   0.033  -0.685  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1        6.667   0.327  -0.526  0.00  0.00    -0.466 OA
ENDBRANCH  15  23
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH   4  24
ATOM     24  N   LIG    1       -2.482  -0.606   0.752  0.00  0.00    -0.338 N 
ATOM     25  H   LIG    1       -1.807  -1.100   1.344  0.00  0.00    +0.146 HD
BRANCH  24  26
ATOM     26  CA  LIG    1       -3.832  -1.030   1.152  0.00  0.00    +0.099 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.758  -0.956  -0.036  0.00  0.00    +0.011 C 
ATOM     28  C   LIG    1       -5.789   0.140  -0.171  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -6.231  -1.265   0.108  0.00  0.00    +0.006 C 
ENDBRANCH  26  27
BRANCH  26  30
ATOM     30  C   LIG    1       -3.736  -2.494   1.656  0.00  0.00    +0.178 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -2.732  -2.607   2.671  0.00  0.00    -0.393 OA
ATOM     32  H   LIG    1       -2.757  -3.527   2.987  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  24  26
ENDBRANCH   4  24
TORSDOF 8