REMARK  Name = BDB040885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.421  -1.891   0.447  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1       -2.035  -0.698   0.039  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1       -1.969   0.491   0.748  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.910   1.347   0.128  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -3.413   0.788  -0.975  0.00  0.00    -0.174 NA
ATOM      6  C   LIG    1       -3.389   2.693   0.536  0.00  0.00    +0.068 C 
ATOM      7  C   LIG    1       -1.144   0.592   1.989  0.00  0.00    +0.083 C 
ATOM      8  C   LIG    1        0.008  -0.434   1.935  0.00  0.00    +0.172 C 
ATOM      9  N   LIG    1       -2.838  -0.433  -1.049  0.00  0.00    -0.247 N 
ATOM     10  C   LIG    1       -0.540  -1.827   1.556  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1       -0.122  -2.842   2.120  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -0.685   2.026   2.203  0.00  0.00    -0.037 A 
ATOM     13  C   LIG    1       -0.900   2.625   3.459  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -0.476   3.931   3.713  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        0.174   4.646   2.717  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1        0.579   5.900   2.961  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        0.410   4.080   1.473  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -0.014   2.775   1.217  0.00  0.00    +0.007 A 
ENDBRANCH   7  12
BRANCH   8  19
ATOM     19  N   LIG    1        1.061  -0.138   0.949  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1        0.787  -0.180  -0.024  0.00  0.00    +0.150 HD
ATOM     21  C   LIG    1        2.393  -0.316   1.254  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1        2.802  -0.574   2.379  0.00  0.00    -0.270 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.347  -0.210   0.115  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.546  -0.931   0.184  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        5.479  -0.865  -0.859  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1        6.744  -1.670  -0.795  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        5.191  -0.079  -1.981  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        4.006   0.655  -2.047  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.085   0.596  -1.000  0.00  0.00    +0.013 A 
ENDBRANCH  21  23
ENDBRANCH   8  19
BRANCH   9  30
ATOM     30  C   LIG    1       -3.082  -1.210  -2.261  0.00  0.00    +0.103 C 
ATOM     31  C   LIG    1       -4.517  -1.736  -2.302  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1       -2.756  -0.411  -3.529  0.00  0.00    +0.032 C 
ENDBRANCH   9  30
BRANCH   1  34
ATOM     33  C   LIG    1       -0.691  -3.820  -0.919  0.00  0.00    +0.025 C 
ATOM     34  C   LIG    1       -1.767  -3.233  -0.016  0.00  0.00    +0.112 C 
ENDBRANCH   1  34
TORSDOF 5