REMARK  Name = BDB006671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.928  -1.553  -1.509  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.353  -0.326  -0.910  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -2.015  -0.029  -0.625  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.635  -0.538  -0.703  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.137   0.617  -0.115  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.741   1.679   0.273  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.486   2.756   0.783  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.030   1.216  -0.076  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -3.307   1.628  -0.041  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -4.153   0.696  -0.543  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.532   0.621  -0.033  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.289  -0.395  -0.504  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        3.675  -0.348  -0.392  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.365   0.704   0.178  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1        5.656   0.461   0.129  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        5.834  -0.763  -0.472  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.610   1.803   0.692  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1        4.268   2.995   1.340  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        4.647  -1.246  -0.778  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        4.371  -2.545  -1.430  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        2.259   1.742   0.582  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1       -0.615  -1.818   0.110  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -0.566  -1.820   1.516  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.548  -3.021   2.230  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.583  -4.234   1.547  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.560  -5.712   2.425  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.636  -4.256   0.156  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.653  -3.056  -0.559  0.00  0.00    +0.007 A 
ENDBRANCH   4  22
BRANCH   9  29
ATOM     29  C   LIG    1       -3.769   2.922   0.493  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1       -3.428   4.233  -0.176  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1       -4.843   3.738  -0.188  0.00  0.00    +0.029 C 
ENDBRANCH   9  29
TORSDOF 3