REMARK  Name = BDB053685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.485  -0.541   1.161  0.00  0.00    +0.108 A 
ATOM      2  C   LIG    1        0.322  -1.732   1.915  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -0.793  -2.401   1.416  0.00  0.00    +0.149 A 
ATOM      4  N   LIG    1       -1.234  -3.606   1.850  0.00  0.00    -0.237 NA
ATOM      5  C   LIG    1       -0.520  -4.136   2.864  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        0.591  -3.559   3.452  0.00  0.00    +0.020 A 
ATOM      7  N   LIG    1       -1.328  -1.646   0.368  0.00  0.00    -0.264 N 
ATOM      8  C   LIG    1        1.034  -2.332   2.972  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -0.597  -0.454   0.290  0.00  0.00    +0.221 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.775   0.902   2.461  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.543   0.444   1.344  0.00  0.00    +0.252 C 
ATOM     12  N   LIG    1        2.276   0.819   0.223  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        3.254   1.897   0.361  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        3.579   2.548  -0.993  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.075   1.617  -2.023  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        3.731   1.931  -2.931  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        3.640   0.232  -1.783  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        2.292   0.091  -1.051  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.445  -2.013  -0.463  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -3.422  -2.906  -0.002  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.507  -3.260  -0.811  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.628  -2.731  -2.092  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.662  -1.849  -2.567  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.576  -1.492  -1.760  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  O   LIG    1       -0.994   0.536  -0.522  0.00  0.00    -0.436 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.946   1.853  -0.135  0.00  0.00    +0.165 A 
ATOM     27  C   LIG    1       -0.583   2.794  -1.099  0.00  0.00    +0.165 A 
ATOM     28  F   LIG    1       -0.257   2.398  -2.339  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -0.533   4.150  -0.791  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -0.863   4.576   0.495  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -1.249   3.643   1.460  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -1.301   2.283   1.145  0.00  0.00    +0.049 A 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 4