REMARK  Name = BDB047159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.297   0.317   1.718  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1        1.217   0.298   0.659  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.177  -0.727   0.556  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        2.209  -1.750   1.510  0.00  0.00    +0.065 A 
ATOM      5 CL   LIG    1        3.202  -3.161   1.378  0.00  0.00    -0.081 Cl
ATOM      6  C   LIG    1        1.304  -1.720   2.577  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1        0.365  -0.691   2.688  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        3.105  -0.663  -0.519  0.00  0.00    -0.250 N 
ATOM      9  C   LIG    1        2.794  -0.453  -1.863  0.00  0.00    +0.200 A 
ATOM     10  C   LIG    1        3.976  -0.371  -2.566  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1        5.039  -0.534  -1.654  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1        4.492  -0.682  -0.398  0.00  0.00    +0.200 A 
BRANCH   9  13
ATOM     13  O   LIG    1        1.555  -0.400  -2.354  0.00  0.00    -0.493 OA
ATOM     14  H   LIG    1        0.920  -0.686  -1.675  0.00  0.00    +0.294 HD
ENDBRANCH   9  13
BRANCH  12  15
ATOM     15  O   LIG    1        5.095  -0.767   0.786  0.00  0.00    -0.493 OA
ATOM     16  H   LIG    1        6.055  -0.776   0.626  0.00  0.00    +0.294 HD
ENDBRANCH  12  15
ENDBRANCH   3   8
BRANCH   1  17
ATOM     17  C   LIG    1       -0.714   1.436   1.843  0.00  0.00    +0.093 C 
BRANCH  17  25
ATOM     18  O   LIG    1       -3.643   2.244  -2.786  0.00  0.00    -0.266 OA
ATOM     19  C   LIG    1       -3.033   2.018  -1.747  0.00  0.00    +0.272 A 
ATOM     20  C   LIG    1       -3.440   0.933  -0.839  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -2.718   0.719   0.334  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1       -3.105  -0.312   1.197  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -4.205  -1.117   0.880  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.922  -0.897  -0.295  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -1.562   1.617   0.590  0.00  0.00    +0.074 A 
ATOM     26  N   LIG    1       -1.212   2.568  -0.226  0.00  0.00    -0.175 NA
ATOM     27  C   LIG    1       -4.541   0.129  -1.158  0.00  0.00    +0.014 A 
ATOM     28  N   LIG    1       -1.938   2.750  -1.360  0.00  0.00    -0.242 N 
ATOM     29  H   LIG    1       -1.638   3.498  -1.978  0.00  0.00    +0.192 HD
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 5