REMARK  Name = BDB028432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.770   1.818  -3.429  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.710   0.890  -3.102  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -1.289   0.505  -1.847  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.278  -0.419  -2.077  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.179  -0.509  -3.481  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -1.032   0.304  -4.105  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.460  -1.130  -1.052  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        1.172  -0.427  -0.068  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        1.875  -1.120   0.925  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        1.889  -2.512   0.912  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        2.666  -3.231   1.935  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        3.341  -2.450   2.841  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        3.884  -2.930   3.553  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        3.323  -1.091   2.901  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        2.708  -4.455   1.963  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        1.186  -3.221  -0.068  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        2.627  -0.443   2.012  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        0.470  -2.530  -1.047  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        2.599   1.079   2.124  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.482   1.657   1.110  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        3.560   2.661   1.274  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        4.425   1.289   1.261  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -1.869   0.996  -0.594  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -2.726   0.203   0.199  0.00  0.00    +0.079 A 
ATOM     25  C   LIG    1       -3.216   0.724   1.407  0.00  0.00    +0.060 A 
ATOM     26 CL   LIG    1       -4.271  -0.180   2.437  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1       -2.861   2.010   1.827  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -2.014   2.782   1.040  0.00  0.00    +0.043 A 
ATOM     29 CL   LIG    1       -1.565   4.358   1.560  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -1.520   2.286  -0.163  0.00  0.00    +0.031 A 
BRANCH  24  31
ATOM     31  C   LIG    1       -3.098  -1.118  -0.226  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1       -3.399  -2.182  -0.580  0.00  0.00    -0.191 NA
ENDBRANCH  24  31
ENDBRANCH   3  23
TORSDOF 5