REMARK  Name = BDB008853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.668  -0.822   2.047  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.121   0.187   1.245  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.504   1.298   1.830  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.548   1.385   3.231  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.023   0.365   4.029  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.576  -0.745   3.439  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  11
ATOM      7  N   LIG    1        4.742  -1.756  -1.212  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        4.520  -0.821  -0.098  0.00  0.00    +0.103 C 
ATOM      9  C   LIG    1        3.043  -0.587   0.278  0.00  0.00    +0.123 C 
ATOM     10  N   LIG    1        2.315  -1.842   0.509  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1        1.299  -2.016   1.441  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        0.887  -3.119   1.793  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        2.858  -3.029  -0.152  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        3.612  -2.670  -1.445  0.00  0.00    +0.103 C 
BRANCH   7  16
ATOM     15  C   LIG    1        4.373  -0.098  -3.098  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1        5.266  -1.142  -2.432  0.00  0.00    +0.081 C 
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   3  17
ATOM     17  C   LIG    1       -1.076   2.420   0.991  0.00  0.00    +0.092 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.800   1.954  -0.268  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1       -3.211   1.466  -0.171  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -3.918   1.401   1.154  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -5.221   0.597   1.110  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -6.030   0.925  -0.139  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.226   0.622  -1.405  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -3.801   1.095  -1.321  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -3.045   1.147  -2.597  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -3.546   0.802  -3.662  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -1.757   1.600  -2.511  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -1.225   1.647  -3.374  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -1.126   2.009  -1.379  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4