REMARK  Name = BDB058483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.162   3.472  -2.602  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        2.357   2.170  -2.033  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        1.354   1.216  -1.835  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        1.950   0.060  -1.336  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.213  -1.081  -1.078  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.177  -1.042  -1.293  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -0.758   0.140  -1.812  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1        3.329   0.305  -1.204  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        0.003   1.285  -2.083  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        3.604   1.609  -1.683  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        4.697   2.143  -1.785  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -0.931  -2.214  -1.061  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1       -0.390  -2.962  -0.638  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -2.303  -2.353  -0.724  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1       -2.869  -3.619  -0.713  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1       -1.981  -5.055  -1.038  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1       -4.204  -3.679  -0.405  0.00  0.00    +0.137 A 
ATOM     18  N   LIG    1       -4.954  -2.596  -0.120  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1       -4.350  -1.399  -0.146  0.00  0.00    +0.220 A 
ATOM     20  N   LIG    1       -3.047  -1.260  -0.448  0.00  0.00    -0.198 NA
BRANCH  19  21
ATOM     21  N   LIG    1       -5.092  -0.266   0.115  0.00  0.00    -0.295 N 
ATOM     22  C   LIG    1       -6.377  -0.399   0.810  0.00  0.00    +0.136 C 
ATOM     23  C   LIG    1       -6.368   0.444   2.097  0.00  0.00    +0.179 C 
ATOM     24  O   LIG    1       -6.121   1.841   1.877  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1       -5.322   2.104   0.712  0.00  0.00    +0.179 C 
ATOM     26  C   LIG    1       -4.345   0.970   0.368  0.00  0.00    +0.136 C 
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  27
ATOM     27  C   LIG    1        4.325  -0.664  -0.805  0.00  0.00    +0.130 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.237  -1.087   0.670  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.095  -0.267   1.652  0.00  0.00    +0.062 C 
ATOM     30  C   LIG    1        4.933  -0.836   3.067  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1        4.752   1.222   1.655  0.00  0.00    +0.041 C 
BRANCH  29  32
ATOM     32  O   LIG    1        6.466  -0.431   1.282  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1        6.996   0.198   1.802  0.00  0.00    +0.210 HD
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 7