REMARK  Name = BDB063553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.557  -4.670  -0.820  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.105  -3.386  -0.638  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1        0.665  -2.209  -0.414  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.016  -0.979  -0.215  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.804   0.151   0.102  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.204   0.099   0.177  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.824  -1.119  -0.075  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.466  -0.896  -0.322  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1       -2.064   0.363  -0.305  0.00  0.00    -0.332 N 
ATOM     10  H   LIG    1       -1.454   1.135  -0.550  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1       -3.145   0.733   0.623  0.00  0.00    +0.146 C 
ATOM     12  C   LIG    1       -4.466  -0.032   0.399  0.00  0.00    +0.300 C 
ATOM     13  C   LIG    1       -4.289  -1.546   0.406  0.00  0.00    +0.306 C 
ATOM     14  O   LIG    1       -3.541  -2.041  -0.704  0.00  0.00    -0.479 OA
ATOM     15  F   LIG    1       -5.080   0.347  -0.754  0.00  0.00    -0.200 F 
ATOM     16  F   LIG    1       -5.335   0.282   1.409  0.00  0.00    -0.200 F 
ATOM     17  C   LIG    1       -2.168  -2.035  -0.498  0.00  0.00    +0.207 A 
ATOM     18  C   LIG    1        2.067  -2.260  -0.355  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -1.492  -3.367  -0.626  0.00  0.00    +0.295 A 
ATOM     20  O   LIG    1       -2.181  -4.385  -0.713  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  21
ATOM     21  C   LIG    1       -3.243   2.250   0.607  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -4.534   3.033   0.511  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -3.592   2.998  -0.660  0.00  0.00    +0.006 C 
ENDBRANCH  11  21
BRANCH   6  24
ATOM     24  N   LIG    1        2.907   1.287   0.453  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        2.458   1.850   1.175  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1        4.257   1.649   0.241  0.00  0.00    +0.056 A 
ATOM     27  C   LIG    1        4.917   2.508   1.134  0.00  0.00    +0.116 A 
ATOM     28 CL   LIG    1        4.098   3.156   2.511  0.00  0.00    -0.077 Cl
ATOM     29  C   LIG    1        6.248   2.827   0.891  0.00  0.00    +0.233 A 
ATOM     30  F   LIG    1        6.896   3.643   1.739  0.00  0.00    -0.182 F 
ATOM     31  N   LIG    1        6.958   2.366  -0.163  0.00  0.00    -0.226 NA
ATOM     32  C   LIG    1        6.304   1.556  -1.017  0.00  0.00    +0.116 A 
ATOM     33  C   LIG    1        4.979   1.176  -0.860  0.00  0.00    +0.044 A 
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 3