REMARK  Name = BDB049244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.910  -0.987   0.100  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1        4.559  -2.116   0.571  0.00  0.00    +0.193 A 
ATOM      3  C   LIG    1        3.848  -3.159   1.128  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1        4.802  -4.131   1.504  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1        6.031  -3.615   1.153  0.00  0.00    +0.198 A 
ATOM      6  N   LIG    1        2.505  -3.149   1.247  0.00  0.00    -0.211 NA
ATOM      7  C   LIG    1        1.914  -2.039   0.770  0.00  0.00    +0.222 A 
ATOM      8  O   LIG    1        5.896  -2.384   0.585  0.00  0.00    -0.458 OA
ATOM      9  N   LIG    1        2.562  -0.987   0.220  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        4.586   0.092  -0.474  0.00  0.00    -0.318 N 
ATOM     11  H   LIG    1        5.574   0.071  -0.222  0.00  0.00    +0.148 HD
BRANCH  10  12
ATOM     12  C   LIG    1        3.935   1.405  -0.285  0.00  0.00    +0.216 C 
BRANCH  12  14
ATOM     13  F   LIG    1        3.545   3.248   1.169  0.00  0.00    -0.169 F 
ATOM     14  C   LIG    1        4.024   1.982   1.135  0.00  0.00    +0.405 C 
ATOM     15  F   LIG    1        3.337   1.262   2.045  0.00  0.00    -0.169 F 
ATOM     16  F   LIG    1        5.316   2.033   1.546  0.00  0.00    -0.169 F 
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   7  17
ATOM     17  N   LIG    1        0.526  -2.026   0.910  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        0.236  -2.875   1.374  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -0.484  -1.165   0.472  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -0.276  -0.085  -0.382  0.00  0.00    +0.045 A 
ATOM     21  C   LIG    1       -1.327   0.773  -0.756  0.00  0.00    +0.064 A 
ATOM     22 CL   LIG    1       -0.873   2.129  -1.744  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1       -2.649   0.580  -0.293  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -2.833  -0.495   0.592  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1       -1.780  -1.346   0.963  0.00  0.00    +0.025 A 
BRANCH  23  26
ATOM     26  N   LIG    1       -3.720   1.395  -0.656  0.00  0.00    -0.324 N 
ATOM     27  C   LIG    1       -4.906   1.527   0.208  0.00  0.00    +0.133 C 
ATOM     28  C   LIG    1       -5.829   2.618  -0.356  0.00  0.00    +0.178 C 
ATOM     29  O   LIG    1       -6.334   2.314  -1.667  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1       -5.468   1.452  -2.421  0.00  0.00    +0.178 C 
ATOM     31  C   LIG    1       -3.973   1.628  -2.096  0.00  0.00    +0.133 C 
ENDBRANCH  23  26
ENDBRANCH  17  19
ENDBRANCH   7  17
TORSDOF 6