REMARK  Name = BDB061963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.983  -0.208  -1.385  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1        0.275  -0.693  -1.795  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        1.407  -0.373  -1.033  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        1.256   0.423   0.087  0.00  0.00    +0.156 A 
ATOM      5  O   LIG    1        2.485   0.591   0.651  0.00  0.00    -0.435 OA
ATOM      6  C   LIG    1        3.326  -0.124  -0.167  0.00  0.00    +0.228 A 
ATOM      7  C   LIG    1        0.049   0.948   0.520  0.00  0.00    +0.050 A 
ATOM      8  N   LIG    1        2.726  -0.715  -1.186  0.00  0.00    -0.209 NA
ATOM      9  C   LIG    1       -1.076   0.617  -0.255  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.742  -0.131   0.193  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        5.226   0.555   1.317  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        6.585   0.523   1.629  0.00  0.00    +0.042 A 
ATOM     13 CL   LIG    1        7.161   1.371   3.012  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        7.482  -0.186   0.833  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        7.015  -0.872  -0.286  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.655  -0.844  -0.603  0.00  0.00    +0.013 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     17  O   LIG    1       -4.193  -0.682  -2.976  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -3.436  -0.504  -2.023  0.00  0.00    +0.250 C 
ATOM     19  N   LIG    1       -2.075  -0.566  -2.198  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1       -1.848  -0.953  -3.109  0.00  0.00    +0.155 HD
BRANCH  18  21
ATOM     21  C   LIG    1       -4.053  -0.272  -0.709  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -3.941  -1.191   0.343  0.00  0.00    +0.053 A 
ATOM     23 CL   LIG    1       -3.059  -2.668   0.204  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -4.588  -0.933   1.556  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -5.361   0.222   1.715  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1       -5.494   1.119   0.646  0.00  0.00    +0.127 A 
ATOM     27  C   LIG    1       -4.849   0.875  -0.572  0.00  0.00    +0.047 A 
BRANCH  26  28
ATOM     28  N   LIG    1       -6.313   2.327   0.807  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1       -6.989   2.428   1.840  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1       -6.267   3.175  -0.093  0.00  0.00    -0.126 OA
ENDBRANCH  26  28
ENDBRANCH  18  21
ENDBRANCH   1  19
TORSDOF 4