REMARK  Name = BDB011167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.721  -3.709  -0.223  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.608  -3.027   0.310  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1       -0.984  -3.522   1.400  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1        0.137  -2.925   1.848  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1        0.641  -1.771   1.295  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -0.049  -1.152   0.267  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1        0.387   0.174  -0.072  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        1.688   0.610   0.271  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1        2.021   1.785   0.102  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1        2.521  -0.344   0.867  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1        1.913  -1.217   1.758  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1        2.312  -1.569   2.863  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -1.146  -1.846  -0.328  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -1.754  -1.481  -1.554  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -2.842  -2.175  -2.076  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.340  -3.277  -1.400  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.633   1.222  -0.356  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -0.353   2.011  -1.655  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1       -0.872   3.451  -1.615  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -2.196   3.547  -0.853  0.00  0.00    -0.014 C 
ATOM     21  C   LIG    1       -2.789   4.951  -0.947  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -2.027   3.122   0.617  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -0.859   2.159   0.849  0.00  0.00    +0.025 C 
ENDBRANCH   7  17
BRANCH  10  24
ATOM     24  C   LIG    1        3.965  -0.157   0.866  0.00  0.00    +0.056 A 
ATOM     25  C   LIG    1        4.589   0.704  -0.059  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        5.980   0.858  -0.097  0.00  0.00    +0.043 A 
ATOM     27 CL   LIG    1        6.690   1.930  -1.243  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        6.797   0.143   0.767  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.216  -0.744   1.663  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        4.823  -0.899   1.700  0.00  0.00    +0.026 A 
ENDBRANCH  10  24
BRANCH   1  32
ATOM     31  C   LIG    1       -4.258  -5.541   0.007  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -3.129  -4.822   0.482  0.00  0.00    -0.493 OA
ENDBRANCH   1  32
TORSDOF 3