REMARK  Name = BDB005113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.816  -3.396   0.105  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.499  -2.944  -0.494  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1        1.207  -1.870   0.075  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        2.400  -1.413  -0.486  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        2.898  -2.056  -1.626  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        2.206  -3.123  -2.203  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.008  -3.562  -1.644  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  N   LIG    1        3.152  -0.337   0.030  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        4.002  -0.120  -0.474  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        2.802   0.512   1.065  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1        1.745   0.534   1.684  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1        3.833   1.532   1.408  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.202   1.230   1.389  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        6.138   2.214   1.723  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        5.706   3.491   2.082  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        6.861   4.698   2.491  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        4.346   3.794   2.119  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        3.408   2.812   1.788  0.00  0.00    +0.014 A 
ENDBRANCH  10  12
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1       -1.945  -2.749  -0.564  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -1.731  -2.605  -1.547  0.00  0.00    +0.148 HD
BRANCH  19  24
ATOM     21  C   LIG    1       -4.755   1.201  -0.751  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1       -3.747   0.453  -0.107  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -3.398  -0.791  -0.672  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -2.374  -1.515  -0.025  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1       -1.812  -1.082   1.111  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1       -2.194   0.110   1.561  0.00  0.00    +0.223 A 
ATOM     27  C   LIG    1       -4.068  -1.260  -1.830  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -5.061  -0.510  -2.445  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1       -3.126   0.896   1.009  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1       -5.400   0.721  -1.908  0.00  0.00    +0.015 A 
BRANCH  21  34
ATOM     31  N   LIG    1       -4.627   3.073   0.840  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1       -3.900   2.564   1.336  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -4.937   3.970   1.181  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1       -5.216   2.542  -0.268  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1       -6.103   3.162  -0.846  0.00  0.00    -0.270 OA
ENDBRANCH  21  34
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6