REMARK  Name = BDB049052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.392  -2.260  -0.610  0.00  0.00    +0.053 A 
ATOM      2  C   LIG    1       -0.051  -3.391  -1.326  0.00  0.00    +0.064 A 
ATOM      3 CL   LIG    1        1.085  -4.490  -2.027  0.00  0.00    -0.082 Cl
ATOM      4  C   LIG    1       -1.408  -3.649  -1.493  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1       -2.330  -2.761  -0.931  0.00  0.00    +0.169 A 
ATOM      6  C   LIG    1       -1.941  -1.637  -0.191  0.00  0.00    +0.153 A 
ATOM      7  C   LIG    1       -0.571  -1.403  -0.040  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   8
ATOM      8  N   LIG    1       -3.737  -3.042  -1.133  0.00  0.00    +0.060 N 
ATOM      9  O   LIG    1       -4.165  -4.107  -0.666  0.00  0.00    -0.126 OA
ATOM     10  O   LIG    1       -4.391  -2.229  -1.799  0.00  0.00    -0.126 OA
ENDBRANCH   5   8
BRANCH   1  11
ATOM     11  N   LIG    1        1.774  -1.999  -0.465  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1        2.354  -2.788  -0.748  0.00  0.00    +0.152 HD
BRANCH  11  20
ATOM     13  O   LIG    1        6.974   2.901   0.609  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        6.009   2.201   0.355  0.00  0.00    +0.222 C 
ATOM     15  N   LIG    1        4.829   2.629  -0.243  0.00  0.00    -0.285 N 
ATOM     16  H   LIG    1        4.676   3.585  -0.524  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        3.933   1.583  -0.389  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        4.492   0.412   0.110  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1        3.785  -0.778   0.076  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        2.491  -0.784  -0.474  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        1.949   0.424  -0.968  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        2.670   1.624  -0.933  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        5.868   0.699   0.632  0.00  0.00    +0.133 C 
ENDBRANCH  11  20
ENDBRANCH   1  11
BRANCH   6  24
ATOM     24  O   LIG    1       -2.934  -0.872   0.348  0.00  0.00    -0.486 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.627   0.334   1.063  0.00  0.00    +0.178 C 
ATOM     26  C   LIG    1       -2.327   1.468   0.074  0.00  0.00    +0.072 C 
ATOM     27  C   LIG    1       -2.750   2.807   0.652  0.00  0.00    +0.163 C 
ATOM     28  O   LIG    1       -4.148   2.875   0.928  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -4.777   1.622   1.203  0.00  0.00    +0.163 C 
ATOM     30  C   LIG    1       -3.849   0.664   1.933  0.00  0.00    +0.072 C 
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 5