REMARK  Name = BDB052627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.074   1.083   0.589  0.00  0.00    -0.220 N 
ATOM      2  C   LIG    1       -1.024  -0.237   1.245  0.00  0.00    +0.110 C 
ATOM      3  C   LIG    1        0.499  -0.410   1.412  0.00  0.00    +0.063 C 
ATOM      4  C   LIG    1        0.963   0.511   0.317  0.00  0.00    +0.072 C 
ATOM      5  C   LIG    1        2.342   0.414  -0.187  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.174  -0.612   0.293  0.00  0.00    -0.038 A 
ATOM      7  C   LIG    1        2.699  -1.587   1.343  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1        4.492  -0.685  -0.181  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        4.954   0.228  -1.139  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        4.116   1.248  -1.605  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.806   1.337  -1.131  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        1.176  -1.764   1.327  0.00  0.00    +0.016 C 
ATOM     13  N   LIG    1        0.081   1.371  -0.086  0.00  0.00    -0.183 NA
ENDROOT
BRANCH   1  18
ATOM     14  C   LIG    1       -4.312   3.814   0.475  0.00  0.00    +0.070 A 
ATOM     15  C   LIG    1       -3.161   4.042  -0.278  0.00  0.00    +0.060 A 
ATOM     16 CL   LIG    1       -2.988   5.432  -1.291  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1       -2.099   3.130  -0.231  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -2.149   1.967   0.559  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1       -3.313   1.764   1.313  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -4.382   2.669   1.274  0.00  0.00    +0.022 A 
BRANCH  14  22
ATOM     21  N   LIG    1       -6.346   5.423   0.473  0.00  0.00    -0.191 NA
ATOM     22  C   LIG    1       -5.425   4.717   0.460  0.00  0.00    +0.101 C 
ENDBRANCH  14  22
ENDBRANCH   1  18
BRANCH   2  23
ATOM     23  C   LIG    1       -1.834  -1.258   0.414  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -1.974  -2.655   1.043  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -1.782  -3.653  -0.097  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -2.006  -2.851  -1.368  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -1.399  -1.495  -1.038  0.00  0.00    +0.005 C 
ENDBRANCH   2  23
BRANCH   9  28
ATOM     28  C   LIG    1        6.355   0.105  -1.605  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        7.273  -0.209  -0.868  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        6.497   0.325  -2.928  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        5.662   0.401  -3.426  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 5