REMARK  Name = BDB046346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.334  -0.323  -2.676  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.674  -0.281  -1.637  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1       -0.713  -0.124  -1.646  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.470   0.241  -0.446  0.00  0.00    +0.145 C 
ATOM      5  C   LIG    1       -2.964   0.088  -0.608  0.00  0.00    -0.003 A 
ATOM      6  C   LIG    1       -3.535  -0.281  -1.771  0.00  0.00    +0.026 A 
ATOM      7  N   LIG    1       -4.895  -0.441  -1.885  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1       -5.302  -0.729  -2.768  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -5.798  -0.252  -0.869  0.00  0.00    +0.257 A 
ATOM     10  C   LIG    1       -5.234   0.168   0.436  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -6.102   0.391   1.514  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -5.589   0.791   2.744  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.216   0.969   2.893  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.351   0.746   1.815  0.00  0.00    +0.009 A 
ATOM     15  O   LIG    1       -7.001  -0.417  -1.037  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -2.725  -0.527  -3.013  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1       -3.844   0.339   0.565  0.00  0.00    -0.006 A 
ATOM     18  C   LIG    1       -1.357   0.140  -2.929  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   2  19
ATOM     19  C   LIG    1        1.340  -0.399  -0.273  0.00  0.00    +0.111 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.849  -0.627  -0.403  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.500  -0.833   0.907  0.00  0.00    -0.302 NA
ATOM     22  C   LIG    1        4.829  -1.452   0.755  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1        5.894  -0.509   0.190  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1        5.995   0.767   1.018  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        4.624   1.406   1.207  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        3.602   0.388   1.721  0.00  0.00    +0.084 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 3