REMARK  Name = BDB006666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.015  -0.478  -0.110  0.00  0.00    -0.238 N 
ATOM      2  C   LIG    1       -0.888   0.374   0.762  0.00  0.00    +0.147 C 
ATOM      3  C   LIG    1       -2.158   0.344   0.015  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -3.485   0.786   0.018  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -4.133   0.342  -1.079  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -3.207  -0.381  -1.754  0.00  0.00    -0.256 N 
ATOM      7  C   LIG    1       -4.180   1.636   1.012  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1       -2.022  -0.391  -1.123  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1       -0.719  -0.915  -1.279  0.00  0.00    +0.271 C 
ATOM     10  O   LIG    1       -0.311  -1.572  -2.221  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        3.337  -2.037  -0.126  0.00  0.00    +0.077 A 
ATOM     12  C   LIG    1        3.767  -1.523   1.131  0.00  0.00    +0.199 A 
ATOM     13  N   LIG    1        2.897  -0.732   1.843  0.00  0.00    -0.194 N 
ATOM     14  C   LIG    1        3.578  -0.376   2.982  0.00  0.00    +0.152 A 
ATOM     15  N   LIG    1        4.779  -0.920   2.964  0.00  0.00    -0.132 NA
ATOM     16  C   LIG    1        3.003   0.494   4.028  0.00  0.00    +0.090 C 
ATOM     17  N   LIG    1        1.633  -0.362   1.497  0.00  0.00    -0.148 NA
ATOM     18  C   LIG    1        1.257  -0.822   0.342  0.00  0.00    +0.151 A 
ATOM     19  N   LIG    1        4.899  -1.642   1.797  0.00  0.00    -0.126 NA
ATOM     20  C   LIG    1        2.099  -1.693  -0.528  0.00  0.00    +0.072 A 
BRANCH  11  22
ATOM     21  C   LIG    1        4.151  -3.098  -2.275  0.00  0.00    +0.125 C 
ATOM     22  N   LIG    1        4.197  -2.857  -0.850  0.00  0.00    -0.344 N 
ATOM     23  H   LIG    1        5.140  -2.850  -0.454  0.00  0.00    +0.146 HD
ENDBRANCH  11  22
ENDBRANCH   1  18
BRANCH   2  24
ATOM     24  C   LIG    1       -0.479   1.834   0.842  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        0.009   2.548  -0.268  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        0.372   3.893  -0.149  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        0.252   4.538   1.078  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        0.700   6.192   1.223  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -0.228   3.851   2.190  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -0.592   2.507   2.073  0.00  0.00    +0.007 A 
ENDBRANCH   2  24
BRANCH   6  31
ATOM     31  C   LIG    1       -3.492  -1.047  -3.037  0.00  0.00    +0.108 C 
ATOM     32  C   LIG    1       -4.772  -1.812  -3.279  0.00  0.00    +0.029 C 
ATOM     33  C   LIG    1       -3.470  -2.550  -3.184  0.00  0.00    +0.029 C 
ENDBRANCH   6  31
TORSDOF 4