REMARK  Name = BDB042592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.340  -0.560   0.250  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        3.886  -0.839   1.624  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        2.691  -1.805   1.601  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        1.565  -1.308   0.800  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.301  -1.812   1.063  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.116  -2.705   1.890  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.870  -0.240  -0.162  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        3.288  -0.331  -0.762  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1        5.565   1.614   0.303  0.00  0.00    +0.150 A 
ATOM     10  C   LIG    1        5.498   0.215   0.160  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1        6.705  -0.465  -0.075  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        7.919   0.220  -0.175  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        7.939   1.601  -0.035  0.00  0.00    +0.127 A 
ATOM     14  F   LIG    1        9.102   2.258  -0.129  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        6.772   2.311   0.205  0.00  0.00    +0.082 A 
BRANCH   9  17
ATOM     16  C   LIG    1        3.490   3.039   0.783  0.00  0.00    +0.135 C 
ATOM     17  N   LIG    1        4.425   2.365   0.564  0.00  0.00    -0.348 NA
ENDBRANCH   9  17
ENDBRANCH   1  10
BRANCH   5  18
ATOM     18  C   LIG    1       -0.852  -1.214   0.275  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.201  -1.753   0.754  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.349  -1.129  -0.000  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1       -3.554  -1.557  -1.290  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -2.958  -2.271  -1.692  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -4.553  -1.103  -2.120  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1       -4.678  -1.523  -3.265  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -5.466  -0.079  -1.556  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -5.274   0.365  -0.232  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1       -6.148   1.339   0.299  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1       -7.183   1.837  -0.511  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -7.347   1.379  -1.815  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1       -8.343   1.873  -2.563  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -6.013   1.865   1.702  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -6.500   0.425  -2.350  0.00  0.00    +0.052 A 
ATOM     33  C   LIG    1       -4.163  -0.210   0.544  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5