REMARK  Name = BDB044922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.526   0.327  -0.594  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        1.450  -0.527  -0.301  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        0.187  -0.357  -0.885  0.00  0.00    +0.081 A 
ATOM      4  N   LIG    1       -0.852  -1.260  -0.522  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -2.034  -1.107  -1.060  0.00  0.00    +0.138 A 
ATOM      6  N   LIG    1       -2.294  -0.090  -1.976  0.00  0.00    -0.196 N 
ATOM      7  C   LIG    1       -1.341   0.811  -2.370  0.00  0.00    +0.172 A 
ATOM      8  N   LIG    1       -1.869   1.642  -3.240  0.00  0.00    -0.194 NA
ATOM      9  C   LIG    1       -3.153   1.203  -3.339  0.00  0.00    +0.233 A 
ATOM     10  N   LIG    1       -3.458   0.128  -2.617  0.00  0.00    -0.128 NA
ATOM     11  C   LIG    1       -0.014   0.693  -1.803  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1        1.043   1.534  -2.116  0.00  0.00    +0.138 A 
ATOM     13  F   LIG    1        0.893   2.533  -2.998  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        2.293   1.353  -1.526  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  19
ATOM     15  C   LIG    1        7.538  -0.117   2.039  0.00  0.00    +0.105 C 
ATOM     16  N   LIG    1        6.103  -0.016   1.787  0.00  0.00    -0.302 NA
ATOM     17  C   LIG    1        5.789   1.230   1.055  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1        4.285   1.366   0.713  0.00  0.00    +0.120 C 
ATOM     19  N   LIG    1        3.807   0.177  -0.040  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1        4.120  -1.085   0.669  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        5.630  -1.170   0.993  0.00  0.00    +0.103 C 
ENDBRANCH   1  19
BRANCH   9  22
ATOM     22  N   LIG    1       -3.978   1.845  -4.158  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1       -4.794   1.343  -4.482  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -3.548   2.439  -4.855  0.00  0.00    +0.145 HD
ENDBRANCH   9  22
BRANCH   5  25
ATOM     25  C   LIG    1       -3.200  -1.994  -0.718  0.00  0.00    +0.111 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.003  -1.455   0.444  0.00  0.00    -0.036 A 
ATOM     27  C   LIG    1       -5.225  -0.801   0.221  0.00  0.00    +0.053 A 
ATOM     28  C   LIG    1       -5.909  -0.312   1.314  0.00  0.00    +0.166 A 
ATOM     29  O   LIG    1       -7.101   0.342   1.277  0.00  0.00    -0.453 OA
ATOM     30  C   LIG    1       -7.307   0.610   2.679  0.00  0.00    +0.466 C 
ATOM     31  O   LIG    1       -6.249   0.107   3.522  0.00  0.00    -0.453 OA
ATOM     32  C   LIG    1       -5.424  -0.446   2.593  0.00  0.00    +0.166 A 
ATOM     33  C   LIG    1       -4.227  -1.075   2.852  0.00  0.00    +0.050 A 
ATOM     34  C   LIG    1       -3.510  -1.583   1.764  0.00  0.00    +0.008 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 4