REMARK  Name = BDB062239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.059  -0.203  -0.292  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        1.506   0.718  -1.234  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        0.139   0.744  -1.370  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.117   1.674  -2.336  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.009   2.205  -2.755  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.728  -0.072  -0.634  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.222  -0.922   0.217  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.034   1.598  -2.065  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.150  -0.964   0.362  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        8.345   0.243   1.482  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        7.530  -0.966   1.092  0.00  0.00    +0.213 C 
ATOM     12  N   LIG    1        6.271  -0.732   0.550  0.00  0.00    -0.298 N 
ATOM     13  C   LIG    1        5.528  -1.872   0.024  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1        4.031  -1.740   0.303  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1        3.503  -0.364  -0.042  0.00  0.00    -0.036 C 
ATOM     16  C   LIG    1        4.373   0.662  -0.148  0.00  0.00    -0.004 C 
ATOM     17  C   LIG    1        5.852   0.584   0.082  0.00  0.00    +0.135 C 
ATOM     18  O   LIG    1        7.981  -2.097   1.275  0.00  0.00    -0.276 OA
ENDBRANCH   1  15
BRANCH   6  19
ATOM     19  N   LIG    1       -2.090   0.042  -0.833  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -2.440   0.935  -1.170  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.037  -0.600   0.079  0.00  0.00    +0.149 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.463  -0.453  -0.463  0.00  0.00    +0.195 C 
ATOM     23  O   LIG    1       -4.787   0.967  -0.561  0.00  0.00    -0.487 OA
ATOM     24  C   LIG    1       -6.114   1.023  -0.226  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -6.599  -0.152   0.328  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -7.917  -0.252   0.736  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1       -8.735   0.864   0.561  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -8.245   2.052   0.004  0.00  0.00    +0.042 A 
ATOM     29  F   LIG    1      -10.017   0.801   0.943  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -6.909   2.140  -0.393  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -5.500  -1.136   0.441  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 4