REMARK  Name = BDB008558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.298  -0.290  -1.825  0.00  0.00    -0.345 N 
ATOM      2  C   LIG    1        2.204  -0.778  -1.136  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.250  -2.172  -1.235  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.232  -2.925  -0.618  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.209  -2.271   0.080  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        0.173  -0.874   0.191  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        3.401  -2.498  -2.002  0.00  0.00    +0.066 A 
ATOM      8 CL   LIG    1        3.910  -4.067  -2.412  0.00  0.00    -0.081 Cl
ATOM      9  C   LIG    1        1.178  -0.114  -0.438  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        4.023  -1.325  -2.356  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.974  -0.212   0.960  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1       -0.554   1.029   1.759  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.156   0.029   0.093  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -3.210  -0.896  -0.022  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -3.862  -1.002  -1.069  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.574  -1.770   1.211  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -4.542  -2.788   0.909  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -5.895  -2.436   1.216  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -6.162  -0.927   1.302  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -5.312  -0.244   2.291  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -5.779  -0.235   3.198  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.012  -0.927   2.429  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -1.976   0.954  -1.020  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -1.909   2.449  -0.828  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -3.109   1.845  -1.479  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   6  11
BRANCH   1  26
ATOM     26  C   LIG    1        3.631   1.113  -2.003  0.00  0.00    +0.124 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.263   1.766  -0.776  0.00  0.00    +0.049 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.614   1.159  -0.406  0.00  0.00    +0.161 C 
BRANCH  28  30
ATOM     29  C   LIG    1        6.947   2.982   0.338  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        6.179   1.846   0.711  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8