REMARK  Name = BDB040399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.268   0.127  -2.264  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.115  -0.137  -1.731  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.571  -1.440  -1.524  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.851  -1.678  -1.002  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.269  -3.342  -0.760  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.724  -0.619  -0.673  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.234   0.692  -0.860  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.143   2.106  -0.440  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.953   0.924  -1.380  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.122  -0.903  -0.124  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.235  -0.186  -0.885  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -6.223  -0.030  -2.105  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -7.323   0.212  -0.146  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -8.059   0.672  -0.664  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.637  -0.145   1.141  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.738   0.111   1.619  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.601  -0.946   1.890  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.199  -0.644   1.385  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.576   1.553  -0.725  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.201   0.304  -1.178  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.562  -0.521  -0.717  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.172   2.588  -1.250  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        2.923   2.991   0.857  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        2.514   1.543   0.511  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        1.675   1.003   1.691  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.794   0.736   0.228  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1        4.301  -0.229   1.110  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        5.482  -0.943   0.805  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1        6.187  -0.709  -0.378  0.00  0.00    +0.074 A 
ATOM     30  N   LIG    1        7.307  -1.375  -0.693  0.00  0.00    -0.235 NA
ATOM     31  C   LIG    1        7.736  -2.289   0.190  0.00  0.00    +0.221 A 
ATOM     32  N   LIG    1        7.152  -2.602   1.354  0.00  0.00    -0.243 NA
ATOM     33  C   LIG    1        5.690   0.256  -1.241  0.00  0.00    +0.029 A 
ATOM     34  C   LIG    1        6.030  -1.912   1.635  0.00  0.00    +0.122 A 
ATOM     35  C   LIG    1        4.521   0.972  -0.952  0.00  0.00    +0.007 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5