REMARK  Name = BDB058475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.265  -0.363   0.167  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -1.429   0.424   0.246  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.844   1.099  -0.884  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.951   1.936  -1.095  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -2.930   2.391  -2.434  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -1.800   1.800  -3.034  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -1.374   1.997  -4.388  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.736   3.142  -2.962  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.135   1.019  -2.082  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.014   0.270  -2.196  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.446  -0.419  -1.055  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.161  -1.026   1.336  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -0.620  -1.403   1.872  0.00  0.00    +0.152 HD
BRANCH  12  19
ATOM     14  C   LIG    1        3.827  -1.645   1.640  0.00  0.00    +0.156 A 
ATOM     15  N   LIG    1        3.873  -2.745   2.437  0.00  0.00    -0.235 NA
ATOM     16  C   LIG    1        2.692  -3.247   2.868  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1        1.456  -2.714   2.538  0.00  0.00    +0.080 A 
ATOM     18 CL   LIG    1        0.023  -3.449   3.156  0.00  0.00    -0.080 Cl
ATOM     19  C   LIG    1        1.404  -1.588   1.705  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        2.619  -1.048   1.266  0.00  0.00    +0.073 A 
BRANCH  14  24
ATOM     21  C   LIG    1        6.676   1.431  -0.793  0.00  0.00    +0.067 C 
ATOM     22  C   LIG    1        6.318   0.288   0.081  0.00  0.00    +0.061 A 
ATOM     23  N   LIG    1        5.037   0.016   0.336  0.00  0.00    -0.170 NA
ATOM     24  N   LIG    1        5.056  -1.073   1.161  0.00  0.00    -0.219 N 
ATOM     25  C   LIG    1        6.360  -1.484   1.413  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1        6.733  -2.639   2.268  0.00  0.00    +0.066 C 
ATOM     27  C   LIG    1        7.181  -0.614   0.724  0.00  0.00    +0.048 A 
ENDBRANCH  14  24
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   4  28
ATOM     28  C   LIG    1       -3.920   2.348  -0.108  0.00  0.00    +0.130 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.299   1.700  -0.291  0.00  0.00    +0.056 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.469   0.283   0.293  0.00  0.00    +0.062 C 
ATOM     31  C   LIG    1       -5.359   0.273   1.820  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -6.832  -0.284  -0.121  0.00  0.00    +0.041 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -4.471  -0.601  -0.209  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1       -4.408  -0.468  -1.172  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 7