REMARK  Name = BDB012728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.384  -0.137  -0.575  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        1.151  -0.134  -1.985  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -0.193  -0.465  -2.137  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -0.816  -0.555  -3.391  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -0.029  -0.303  -4.520  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        1.319   0.025  -4.392  0.00  0.00    +0.042 A 
ATOM      7 CL   LIG    1        2.254   0.328  -5.807  0.00  0.00    -0.084 Cl
ATOM      8  N   LIG    1       -0.656  -0.646  -0.859  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1        1.928   0.115  -3.136  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.273  -0.451   0.094  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        2.603   0.137  -0.049  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1        3.349   0.367  -0.712  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1        4.404   0.391   1.616  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        3.032   0.301   1.289  0.00  0.00    +0.063 A 
ATOM     15  C   LIG    1        2.161   0.316   2.378  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1        2.534   0.449   3.679  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1        3.847   0.571   3.933  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        4.814   0.545   2.950  0.00  0.00    +0.034 A 
BRANCH  13  21
ATOM     19  N   LIG    1        6.699  -0.168   0.924  0.00  0.00    -0.219 N 
ATOM     20  H   LIG    1        6.794  -0.727   1.770  0.00  0.00    +0.167 HD
ATOM     21  C   LIG    1        5.426   0.319   0.532  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1        5.143   0.659  -0.609  0.00  0.00    -0.269 OA
BRANCH  19  24
ATOM     23  N   LIG    1        8.325  -0.489  -0.933  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1        7.544  -0.320  -0.096  0.00  0.00    +0.173 C 
ENDBRANCH  19  24
ENDBRANCH  13  21
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  25
ATOM     25  C   LIG    1       -2.006  -1.007  -0.460  0.00  0.00    +0.159 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.855   0.237  -0.184  0.00  0.00    +0.107 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.260  -0.086   0.106  0.00  0.00    -0.301 NA
ATOM     28  C   LIG    1       -4.443  -0.781   1.385  0.00  0.00    +0.084 C 
ATOM     29  C   LIG    1       -5.930  -0.616   1.667  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -6.359   0.605   0.863  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1       -5.081   1.123   0.223  0.00  0.00    +0.084 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 7