REMARK  Name = BDB058573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.108  -0.213   0.196  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1        0.217   0.411  -0.062  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.142  -0.489  -0.932  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.037  -1.992  -0.620  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        0.129  -2.381   0.556  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        0.799  -2.152   1.924  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -1.174  -1.569   0.523  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -2.231  -2.105   0.863  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.136   1.806  -0.696  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        0.652   2.918  -0.008  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        0.598   4.194  -0.575  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        0.030   4.370  -1.833  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -0.037   5.942  -2.529  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -0.486   3.282  -2.532  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.432   2.006  -1.968  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.593  -0.009  -0.927  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        3.144   0.544  -2.096  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        4.459   1.012  -2.109  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        5.108   1.692  -3.550  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        5.246   0.936  -0.964  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.714   0.389   0.202  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.397  -0.078   0.221  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -2.245   0.668   0.640  0.00  0.00    +0.105 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.186   1.873   2.701  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -2.242   0.798   2.182  0.00  0.00    +0.022 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -3.653   0.316   0.051  0.00  0.00    +0.132 C 
ATOM     27  C   LIG    1       -3.634  -0.059  -1.426  0.00  0.00    +0.039 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -4.335  -0.701   0.782  0.00  0.00    -0.390 OA
ATOM     29  H   LIG    1       -3.714  -1.459   0.845  0.00  0.00    +0.210 HD
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  30
ATOM     30  C   LIG    1       -0.260  -3.886   0.442  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1        0.907  -4.835   0.568  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1        1.758  -4.986  -0.294  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        0.950  -5.494   1.746  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1        0.202  -5.313   2.347  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 9