REMARK  Name = BDB029498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.660   0.595  -1.819  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.669   0.409  -1.482  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -1.240   0.426  -0.139  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -2.642  -0.192  -0.279  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -2.649  -1.671   0.103  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.640  -2.336   0.304  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1       -3.891  -2.247   0.221  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -3.865  -3.225   0.481  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -5.010  -1.595   0.671  0.00  0.00    +0.219 C 
ATOM     10  O   LIG    1       -5.931  -2.208   1.203  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -5.050  -0.102   0.459  0.00  0.00    +0.097 C 
ATOM     12  C   LIG    1       -3.667   0.515   0.615  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -2.947  -0.032  -1.782  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -1.584  -0.171  -2.441  0.00  0.00    +0.109 C 
ATOM     15  O   LIG    1        1.114   0.370  -2.936  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1        3.507   0.773   0.634  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        2.626   0.298  -0.338  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1        1.571   1.108  -0.776  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        1.400   2.401  -0.276  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        2.278   2.880   0.690  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        3.323   2.069   1.143  0.00  0.00    +0.023 A 
BRANCH  16  24
ATOM     22  C   LIG    1        6.194  -1.705   1.566  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1        4.954  -1.264   0.829  0.00  0.00    +0.214 C 
ATOM     24  N   LIG    1        4.592   0.033   1.148  0.00  0.00    -0.286 N 
ATOM     25  H   LIG    1        5.170   0.508   1.830  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        4.393  -2.014   0.040  0.00  0.00    -0.276 OA
ENDBRANCH  16  24
ENDBRANCH   1  18
TORSDOF 2