REMARK  Name = BDB006676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.600   1.134  -1.909  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        3.027   0.321  -0.812  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        1.697  -0.003  -0.561  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        0.329   0.169  -1.077  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.459  -0.623  -0.077  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.396  -1.182   0.927  0.00  0.00    +0.271 C 
ATOM      7  O   LIG    1        0.092  -1.875   1.882  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.708  -0.768   0.568  0.00  0.00    +0.137 A 
ATOM      9  N   LIG    1        2.996  -0.887   0.988  0.00  0.00    -0.209 N 
ATOM     10  N   LIG    1        3.822  -0.215   0.129  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.841  -0.804  -0.189  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.554  -0.316  -1.228  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -3.930  -0.514  -1.293  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -4.652  -1.208  -0.342  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1       -5.921  -1.233  -0.685  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -6.052  -0.548  -1.870  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -3.946  -1.742   0.779  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -4.644  -2.505   1.877  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.861  -0.115  -2.229  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -4.544   0.678  -3.436  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -2.606  -1.536   0.833  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1        0.067   1.663  -1.079  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1        0.137   2.370  -2.294  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.097   3.747  -2.335  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.402   4.434  -1.162  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.690   6.128  -1.215  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.473   3.756   0.051  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.238   2.378   0.094  0.00  0.00    +0.007 A 
ENDBRANCH   4  22
BRANCH   9  29
ATOM     29  C   LIG    1        3.569  -1.538   2.071  0.00  0.00    +0.153 A 
ATOM     30  N   LIG    1        4.910  -1.571   2.377  0.00  0.00    -0.250 N 
ATOM     31  C   LIG    1        6.030  -0.966   1.692  0.00  0.00    +0.174 C 
ATOM     32  N   LIG    1        5.174  -2.286   3.496  0.00  0.00    -0.178 NA
ATOM     33  C   LIG    1        3.978  -2.708   3.901  0.00  0.00    +0.136 A 
ATOM     34  C   LIG    1        2.944  -2.274   3.056  0.00  0.00    +0.069 A 
ENDBRANCH   9  29
TORSDOF 3