REMARK  Name = BDB041041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.055   1.164   0.774  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.642   0.036  -0.099  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -2.335  -0.370  -0.486  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.957   0.158  -0.229  0.00  0.00    +0.083 C 
ATOM      5  C   LIG    1        0.124  -0.869  -0.674  0.00  0.00    +0.171 C 
ATOM      6  C   LIG    1       -0.274  -1.649  -1.958  0.00  0.00    +0.240 C 
ATOM      7  N   LIG    1       -1.583  -2.046  -2.093  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -1.811  -2.643  -2.878  0.00  0.00    +0.156 HD
ATOM      9  O   LIG    1        0.562  -1.982  -2.803  0.00  0.00    -0.273 OA
ATOM     10  C   LIG    1       -2.550  -1.408  -1.360  0.00  0.00    +0.127 A 
ATOM     11  N   LIG    1       -3.896  -1.619  -1.409  0.00  0.00    -0.253 N 
ATOM     12  C   LIG    1       -4.619  -2.610  -2.168  0.00  0.00    +0.174 C 
ATOM     13  N   LIG    1       -4.583  -0.743  -0.654  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -0.886   0.509   1.250  0.00  0.00    -0.035 A 
ATOM     15  C   LIG    1       -1.067  -0.456   2.260  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -0.971  -0.096   3.602  0.00  0.00    +0.159 A 
ATOM     17  F   LIG    1       -1.159  -1.029   4.546  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1       -0.693   1.216   3.961  0.00  0.00    +0.158 A 
ATOM     19  F   LIG    1       -0.608   1.560   5.253  0.00  0.00    -0.202 F 
ATOM     20  C   LIG    1       -0.505   2.185   2.984  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -0.599   1.834   1.634  0.00  0.00    +0.007 A 
ENDBRANCH   4  14
BRANCH   5  22
ATOM     22  N   LIG    1        1.428  -0.246  -0.960  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1        1.779  -0.412  -1.900  0.00  0.00    +0.150 HD
ATOM     24  C   LIG    1        2.362  -0.049   0.032  0.00  0.00    +0.245 C 
ATOM     25  O   LIG    1        2.141  -0.265   1.217  0.00  0.00    -0.270 OA
BRANCH  24  26
ATOM     26  C   LIG    1        3.711   0.412  -0.405  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        4.801   0.181   0.447  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        6.083   0.600   0.083  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        6.277   1.259  -1.129  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        7.854   1.777  -1.579  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        5.199   1.506  -1.978  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        3.914   1.088  -1.617  0.00  0.00    +0.014 A 
ENDBRANCH  24  26
ENDBRANCH   5  22
TORSDOF 3