REMARK  Name = BDB011621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.029  -2.577   0.596  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -1.714  -1.379   0.592  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -1.189  -0.550   0.862  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.559  -3.682   0.612  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.062  -1.164   0.516  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.603   0.176   0.888  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.885   1.132   1.146  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.994   0.107   0.819  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -5.333  -1.162   0.258  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -6.514  -1.804   0.844  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -4.129  -1.880   0.127  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -4.149  -3.244  -0.484  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.780   1.302   0.511  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -6.907   1.526   1.529  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -7.677   2.812   1.232  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -8.200   2.838  -0.202  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -7.080   2.621  -1.216  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -6.303   1.336  -0.934  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        0.851  -0.419  -0.995  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        1.271  -1.449  -0.009  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        2.564  -1.716   0.443  0.00  0.00    +0.167 A 
ATOM     22  O   LIG    1        2.467  -2.807   1.278  0.00  0.00    -0.354 OA
ATOM     23  N   LIG    1        1.173  -3.237   1.394  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        0.433  -2.410   0.648  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        3.817  -1.056   0.168  0.00  0.00    -0.006 C 
ATOM     26  C   LIG    1        3.938   0.396  -0.251  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1        5.330   1.000  -0.035  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1        6.424   0.077  -0.601  0.00  0.00    -0.001 C 
ATOM     29  C   LIG    1        6.339  -1.288   0.119  0.00  0.00    +0.031 C 
ATOM     30  C   LIG    1        4.938  -1.787   0.341  0.00  0.00    -0.019 C 
BRANCH  28  31
ATOM     31  C   LIG    1        7.864   0.708  -0.592  0.00  0.00    -0.035 C 
ATOM     32  C   LIG    1        7.915   1.921  -1.547  0.00  0.00    +0.011 C 
ATOM     33  C   LIG    1        8.296   1.185   0.808  0.00  0.00    +0.011 C 
ATOM     34  C   LIG    1        8.904  -0.316  -1.097  0.00  0.00    +0.011 C 
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5