REMARK  Name = BDB006663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.361   1.016  -2.666  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        3.087   0.208  -1.455  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        1.859  -0.068  -0.843  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        0.399   0.151  -0.930  0.00  0.00    +0.147 C 
ATOM      5  N   LIG    1       -0.051  -0.621   0.264  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1        1.011  -1.213   0.978  0.00  0.00    +0.271 C 
ATOM      7  O   LIG    1        0.991  -1.896   1.986  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        2.159  -0.839   0.240  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        3.491  -1.008   0.259  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1        4.097  -0.367  -0.770  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.433  -0.763   0.515  0.00  0.00    +0.131 A 
ATOM     12  N   LIG    1       -2.258  -0.177  -0.388  0.00  0.00    -0.211 NA
ATOM     13  C   LIG    1       -3.566  -0.313  -0.103  0.00  0.00    +0.180 A 
ATOM     14  C   LIG    1       -4.142  -0.982   0.964  0.00  0.00    +0.134 A 
ATOM     15  N   LIG    1       -5.506  -0.885   0.880  0.00  0.00    -0.128 NA
ATOM     16  N   LIG    1       -5.804  -0.171  -0.202  0.00  0.00    -0.063 NA
ATOM     17  C   LIG    1       -3.291  -1.600   1.887  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -3.769  -2.355   3.088  0.00  0.00    +0.046 C 
ATOM     19  N   LIG    1       -4.640   0.178  -0.787  0.00  0.00    -0.230 N 
ATOM     20  C   LIG    1       -4.642   0.980  -1.978  0.00  0.00    +0.176 C 
ATOM     21  C   LIG    1       -1.909  -1.466   1.631  0.00  0.00    +0.049 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1        0.200   1.653  -0.859  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1        0.334   2.381   0.338  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        0.145   3.766   0.359  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.179   4.438  -0.816  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.414   6.142  -0.791  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.316   3.740  -2.013  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.127   2.356  -2.034  0.00  0.00    +0.007 A 
ENDBRANCH   4  22
BRANCH   9  29
ATOM     29  C   LIG    1        4.236  -1.770   1.276  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1        5.379  -2.690   0.916  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1        4.092  -3.267   1.423  0.00  0.00    +0.029 C 
ENDBRANCH   9  29
TORSDOF 3