REMARK  Name = BDB027549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.397  -0.725  -0.590  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.341   0.432  -0.429  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.792   0.401  -0.562  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.292   1.660   0.165  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.099   2.610   0.029  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.097   1.683   0.173  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.100  -1.809  -0.883  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.631  -0.634   0.053  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        3.805  -1.479   0.809  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.423  -1.501   0.598  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        1.857  -0.667  -0.366  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        2.671   0.155  -1.146  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.054   0.177  -0.928  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.014   0.088  -0.253  0.00  0.00    +0.217 C 
ATOM     15  N   LIG    1        6.013  -0.672   0.331  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        6.302  -1.326   1.048  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.868   0.951  -1.110  0.00  0.00    -0.275 OA
BRANCH  14  19
ATOM     18  C   LIG    1        9.503   0.537  -0.314  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.380  -0.272   0.311  0.00  0.00    +0.093 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -3.478   2.259  -0.426  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -3.400   2.541  -1.398  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.630   1.492  -0.346  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -4.833   0.680   0.701  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -5.957  -0.047   0.727  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1       -6.908   0.012  -0.295  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -8.084  -0.762  -0.248  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1       -8.305  -1.603   0.838  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -7.370  -1.675   1.864  0.00  0.00    +0.022 A 
ATOM     29 CL   LIG    1       -9.736  -2.553   0.910  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -6.595   0.875  -1.331  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.207  -0.898   1.797  0.00  0.00    +0.030 A 
ATOM     32  N   LIG    1       -5.471   1.614  -1.377  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5