REMARK  Name = BDB033109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.322  -0.903   2.342  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1       -1.187  -0.739   2.166  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.701  -1.517   1.039  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.217  -2.779   0.731  0.00  0.00    +0.216 C 
ATOM      5  O   LIG    1       -1.778  -3.523  -0.074  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.123  -3.191   1.319  0.00  0.00    +0.098 C 
ATOM      7  C   LIG    1        0.604  -2.391   2.520  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        3.037  -0.114   2.277  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.367  -0.006   1.253  0.00  0.00    +0.248 C 
ATOM     10  N   LIG    1        1.035  -0.347   1.192  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1        0.488  -0.162   0.361  0.00  0.00    +0.149 HD
BRANCH   9  12
ATOM     12  C   LIG    1        2.999   0.557   0.027  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1        4.195   1.286   0.143  0.00  0.00    +0.129 A 
ATOM     14  C   LIG    1        4.804   1.847  -0.979  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        4.233   1.672  -2.238  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        3.061   0.930  -2.365  0.00  0.00    +0.042 A 
ATOM     17 CL   LIG    1        2.366   0.699  -3.924  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        2.443   0.367  -1.246  0.00  0.00    +0.036 A 
BRANCH  13  19
ATOM     19  O   LIG    1        4.834   1.495   1.337  0.00  0.00    -0.506 OA
ATOM     20  H   LIG    1        4.385   0.949   2.022  0.00  0.00    +0.292 HD
ENDBRANCH  13  19
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   3  21
ATOM     21  C   LIG    1       -2.926  -1.044   0.395  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.617   0.053  -0.610  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -3.089   1.379  -0.472  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -2.720   2.337  -1.437  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -1.916   1.994  -2.524  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -1.475   0.685  -2.673  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -1.823  -0.277  -1.727  0.00  0.00    +0.006 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -3.991   1.796   0.669  0.00  0.00    +0.418 C 
ATOM     29  F   LIG    1       -3.403   1.629   1.886  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.371   3.103   0.621  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -5.146   1.076   0.711  0.00  0.00    -0.166 F 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6