REMARK  Name = BDB032505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.839  -0.797  -1.410  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.484  -1.369  -1.080  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -0.685  -0.664  -1.373  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.905  -1.226  -1.030  0.00  0.00    +0.215 A 
ATOM      5  N   LIG    1       -2.038  -2.425  -0.422  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.896  -3.087  -0.142  0.00  0.00    +0.115 A 
ATOM      7  C   LIG    1        0.369  -2.609  -0.444  0.00  0.00    +0.025 A 
BRANCH   4   8
ATOM      8  O   LIG    1       -3.022  -0.480  -1.345  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -4.264  -1.044  -0.908  0.00  0.00    +0.242 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.529  -0.799   0.589  0.00  0.00    +0.093 C 
ATOM     11  C   LIG    1       -5.017   0.602   0.851  0.00  0.00    +0.116 A 
ATOM     12  N   LIG    1       -5.974   0.874   1.798  0.00  0.00    -0.334 N 
ATOM     13  C   LIG    1       -6.176   2.221   1.832  0.00  0.00    +0.107 A 
ATOM     14  C   LIG    1       -5.311   2.727   0.891  0.00  0.00    +0.130 A 
ATOM     15  C   LIG    1       -6.681  -0.124   2.574  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1       -5.989  -1.484   2.540  0.00  0.00    +0.022 C 
ATOM     17  N   LIG    1       -4.598   1.720   0.293  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1       -5.548  -1.829   1.117  0.00  0.00    +0.016 C 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1        2.494  -0.389  -0.174  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1        1.846   0.070   0.464  0.00  0.00    +0.146 HD
BRANCH  19  25
ATOM     21  C   LIG    1        7.567   2.132  -0.140  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1        6.291   1.521  -0.143  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        5.897   0.801  -1.294  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        4.620   0.174  -1.296  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.723   0.275  -0.225  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        4.150   0.970   0.907  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        6.800   0.746  -2.376  0.00  0.00    +0.067 A 
ATOM     28 CL   LIG    1        6.458  -0.093  -3.847  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1        8.020   1.399  -2.268  0.00  0.00    +0.133 A 
ATOM     30  C   LIG    1        5.399   1.595   0.946  0.00  0.00    +0.014 A 
ATOM     31  N   LIG    1        8.420   2.087  -1.178  0.00  0.00    -0.239 NA
BRANCH  21  32
ATOM     32  N   LIG    1        8.040   2.850   0.962  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        8.040   2.274   1.796  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        8.981   3.154   0.723  0.00  0.00    +0.144 HD
ENDBRANCH  21  32
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 7