REMARK  Name = BDB042455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.673  -1.099   0.370  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.144  -1.178  -1.011  0.00  0.00    -0.293 NA
ATOM      3  C   LIG    1       -2.330  -2.038  -1.197  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -3.577  -1.588  -0.381  0.00  0.00    +0.124 C 
ATOM      5  N   LIG    1       -3.916  -0.153  -0.563  0.00  0.00    -0.326 N 
ATOM      6  C   LIG    1       -2.782   0.766  -0.840  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1       -2.575  -1.845  -2.699  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -2.094  -0.420  -2.976  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1       -1.612   0.088  -1.610  0.00  0.00    +0.074 C 
BRANCH   5  10
ATOM     10  C   LIG    1       -5.036   0.352   0.111  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -6.024  -0.461   0.690  0.00  0.00    +0.135 A 
ATOM     12  N   LIG    1       -7.138  -0.037   1.346  0.00  0.00    -0.243 NA
ATOM     13  C   LIG    1       -7.316   1.297   1.432  0.00  0.00    +0.140 A 
ATOM     14  C   LIG    1       -6.428   2.209   0.889  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -5.293   1.726   0.227  0.00  0.00    +0.027 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -8.495   1.739   2.124  0.00  0.00    +0.119 C 
ATOM     17  N   LIG    1       -9.436   2.139   2.678  0.00  0.00    -0.189 NA
ENDBRANCH  13  16
ENDBRANCH   5  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.637  -0.311   0.511  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.784  -0.912  -0.310  0.00  0.00    +0.054 C 
BRANCH  19  27
ATOM     20  C   LIG    1        6.438  -1.651   2.182  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        6.444  -0.312   1.494  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        5.340   0.160   0.749  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1        5.414   1.425   0.130  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1        4.254   1.917  -0.654  0.00  0.00    +0.259 A 
ATOM     25  N   LIG    1        3.162   1.081  -0.717  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        2.388   1.433  -1.268  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        3.071  -0.148  -0.112  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1        4.237   3.001  -1.225  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        6.565   2.202   0.252  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1        6.667   3.408  -0.323  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        7.652   1.740   0.985  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        4.105  -0.627   0.596  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        7.594   0.491   1.602  0.00  0.00    +0.007 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6