REMARK  Name = BDB018934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.315  -1.203  -0.951  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        1.043  -0.925  -0.663  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.082  -1.662  -1.261  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.425  -1.383  -0.949  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.767  -0.366  -0.049  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.750   0.393   0.547  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.790  -2.800  -2.206  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.371  -2.733  -2.744  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.406   0.087   0.243  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.598  -2.495  -1.596  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  21
ATOM     11  C   LIG    1       -3.736  -0.230   0.317  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -3.703   1.117  -0.031  0.00  0.00    +0.091 A 
ATOM     13  N   LIG    1       -4.660   2.139   0.122  0.00  0.00    -0.293 N 
ATOM     14  C   LIG    1       -4.147   3.341  -0.405  0.00  0.00    +0.330 A 
ATOM     15  N   LIG    1       -2.856   3.042  -0.883  0.00  0.00    -0.295 N 
ATOM     16  C   LIG    1       -1.960   3.973  -1.504  0.00  0.00    +0.154 C 
ATOM     17  O   LIG    1       -4.707   4.426  -0.445  0.00  0.00    -0.246 OA
ATOM     18  C   LIG    1       -5.968   1.981   0.686  0.00  0.00    +0.154 C 
ATOM     19  C   LIG    1       -2.590   1.685  -0.659  0.00  0.00    +0.073 A 
ATOM     20  C   LIG    1       -1.464   0.952  -0.974  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1       -1.447  -0.412  -0.644  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -2.582  -0.977  -0.004  0.00  0.00    +0.048 A 
BRANCH  11  24
ATOM     23  C   LIG    1       -5.372  -1.998   0.349  0.00  0.00    +0.129 C 
ATOM     24  N   LIG    1       -4.841  -0.794   0.988  0.00  0.00    -0.334 N 
ATOM     25  C   LIG    1       -4.566  -0.944   2.421  0.00  0.00    +0.129 C 
ENDBRANCH  11  24
ENDBRANCH   1  21
BRANCH   5  26
ATOM     26  C   LIG    1        5.172  -0.138   0.221  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.763  -0.246   1.461  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        7.089   0.015   1.273  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.124   0.028   2.278  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.406   0.277  -0.009  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.239   0.168  -0.650  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1        3.039   1.510   1.518  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1        1.993   2.378   1.661  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        3.303   1.056   2.775  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4