REMARK  Name = BDB019540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.273   0.995  -0.485  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1       -1.865   1.818  -0.464  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.054   1.335  -0.554  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        0.393   2.510  -0.640  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.092   0.283  -0.495  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        2.188   0.475   0.356  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        3.212  -0.482   0.425  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1        3.122  -1.625  -0.385  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        2.038  -1.794  -1.250  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1        1.956  -3.195  -2.246  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        1.026  -0.842  -1.319  0.00  0.00    +0.033 A 
BRANCH   7  12
ATOM     12  C   LIG    1        4.399  -0.269   1.332  0.00  0.00    +0.158 C 
BRANCH  12  13
ATOM     13  N   LIG    1        5.582   0.115   0.585  0.00  0.00    -0.332 N 
ATOM     14  C   LIG    1        6.667  -0.680   0.344  0.00  0.00    +0.199 A 
ATOM     15  N   LIG    1        7.592  -0.036  -0.330  0.00  0.00    -0.244 NA
ATOM     16  C   LIG    1        7.087   1.224  -0.527  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1        5.840   1.343   0.043  0.00  0.00    +0.107 A 
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  C   LIG    1       -1.812  -0.200   0.133  0.00  0.00    +0.140 C 
BRANCH  18  24
ATOM     19  C   LIG    1       -7.620   0.198   0.517  0.00  0.00    +0.045 C 
ATOM     20  C   LIG    1       -6.127   0.082   0.398  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1       -5.509  -0.367  -0.779  0.00  0.00    +0.044 A 
ATOM     22 CL   LIG    1       -6.431  -0.816  -2.169  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -4.116  -0.463  -0.861  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -3.311  -0.120   0.234  0.00  0.00    -0.029 A 
ATOM     25  C   LIG    1       -3.925   0.341   1.405  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.316   0.437   1.486  0.00  0.00    +0.005 A 
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 5