REMARK  Name = BDB021981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.067   0.294   0.499  0.00  0.00    -0.265 N 
ATOM      2  H   LIG    1       -3.396  -0.659   0.390  0.00  0.00    +0.157 HD
ATOM      3  C   LIG    1       -1.718   0.514   0.605  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1       -1.005  -0.623   0.288  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1       -1.467  -1.258  -0.344  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1       -1.188   1.566   0.936  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.429   0.757   0.678  0.00  0.00    +0.145 A 
ATOM      8  C   LIG    1       -4.106   1.219   0.733  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -3.951   2.558   1.026  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1       -4.988   3.393   1.256  0.00  0.00    -0.242 NA
ATOM     11  C   LIG    1       -6.207   2.841   1.191  0.00  0.00    +0.223 A 
ATOM     12  N   LIG    1       -6.487   1.559   0.910  0.00  0.00    -0.219 NA
BRANCH   7  14
ATOM     13  C   LIG    1       -5.944  -0.679  -1.104  0.00  0.00    +0.130 C 
ATOM     14  N   LIG    1       -5.639  -0.622   0.332  0.00  0.00    -0.320 N 
ATOM     15  C   LIG    1       -6.717  -1.180   1.159  0.00  0.00    +0.130 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1        0.456  -0.611   0.259  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1        1.008  -2.038   0.395  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        2.322  -2.246  -0.366  0.00  0.00    +0.086 C 
ATOM     19  N   LIG    1        3.146  -1.043  -0.294  0.00  0.00    -0.298 NA
ATOM     20  C   LIG    1        2.523   0.092  -0.999  0.00  0.00    +0.086 C 
ATOM     21  C   LIG    1        0.990   0.050  -1.010  0.00  0.00    +0.038 C 
BRANCH  19  22
ATOM     22  C   LIG    1        4.517  -1.298  -0.763  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.474  -0.160  -0.469  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1        6.182   0.464  -1.509  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        7.071   1.504  -1.232  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        7.254   1.919   0.082  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1        8.108   2.917   0.345  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        6.566   1.314   1.126  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1        5.678   0.274   0.852  0.00  0.00    +0.008 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   4  16
TORSDOF 5