REMARK  Name = BDB033107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.720  -1.594  -0.211  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.558  -0.847  -0.605  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.605  -1.800  -0.324  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.198  -2.765   0.580  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.892  -3.635   1.081  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.253  -2.525   0.907  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.367   0.175  -0.674  0.00  0.00    +0.246 C 
ATOM      8  N   LIG    1        1.824  -0.742   0.207  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        2.441  -1.100   0.926  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.889   0.410  -1.779  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1        4.599   1.229  -1.160  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.609   0.865  -0.222  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        3.756   1.200   1.134  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        4.915   1.839   1.564  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1        5.098   2.241   3.227  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        5.930   2.143   0.663  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        5.777   1.825  -0.688  0.00  0.00    +0.025 A 
BRANCH  11  18
ATOM     18  N   LIG    1        4.551   0.812  -2.503  0.00  0.00    -0.357 N 
ATOM     19  H   LIG    1        5.058   1.413  -3.144  0.00  0.00    +0.142 HD
ATOM     20  H   LIG    1        3.584   0.663  -2.816  0.00  0.00    +0.142 HD
ENDBRANCH  11  18
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.989  -1.578  -0.701  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.658  -0.516   0.151  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -3.983   0.771  -0.340  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -4.589   1.700   0.529  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -4.873   1.371   1.853  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.560   0.105   2.333  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.959  -0.829   1.491  0.00  0.00    +0.006 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -3.712   1.175  -1.772  0.00  0.00    +0.418 C 
ATOM     29  F   LIG    1       -4.077   2.457  -2.058  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -2.395   1.087  -2.103  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -4.379   0.395  -2.668  0.00  0.00    -0.166 F 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6