REMARK  Name = BDB018312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.034   0.087  -1.216  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -0.789   0.401  -1.937  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.791   0.276  -3.279  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -1.907  -0.121  -3.995  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.808  -0.209  -5.444  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -3.114  -0.417  -3.378  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -4.139  -0.763  -3.959  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -3.127  -0.300  -1.899  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -3.079   1.160   2.266  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1       -2.953   1.112   0.875  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1       -2.177   0.122   0.256  0.00  0.00    -0.014 A 
ATOM     12  C   LIG    1       -1.525  -0.828   1.050  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.647  -0.784   2.438  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -2.422   0.207   3.046  0.00  0.00    +0.045 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -4.001   2.291   4.144  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -3.862   2.180   2.733  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   1  11
BRANCH   2  17
ATOM     17  C   LIG    1        0.394   0.827  -1.248  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.650   0.275  -1.372  0.00  0.00    +0.117 A 
ATOM     19  N   LIG    1        2.453   0.966  -0.505  0.00  0.00    -0.267 N 
ATOM     20  N   LIG    1        1.813   1.973   0.127  0.00  0.00    -0.179 NA
ATOM     21  C   LIG    1        0.554   1.869  -0.312  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.869   0.729  -0.252  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.088  -0.526   0.558  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        4.767  -1.623   0.008  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.970  -2.780   0.762  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.499  -2.852   2.072  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.825  -1.768   2.631  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.622  -0.610   1.879  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 5