REMARK  Name = BDB045987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.270   0.725  -0.122  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.988  -0.398  -0.501  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.682  -1.559  -0.310  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.209   0.063  -1.193  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        2.142   1.468  -1.212  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.130   2.237  -1.806  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        4.205   1.578  -2.395  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.273   0.175  -2.378  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        3.274  -0.618  -1.771  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        0.905   1.955  -0.537  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.644  -0.502   2.486  0.00  0.00    +0.104 C 
ATOM     12  N   LIG    1       -3.353  -0.508   1.799  0.00  0.00    -0.305 NA
ATOM     13  C   LIG    1       -3.462   0.135   0.484  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1       -2.132   0.091  -0.269  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1       -1.021   0.730   0.568  0.00  0.00    +0.079 C 
ATOM     16  C   LIG    1       -0.952   0.073   1.948  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -2.318   0.118   2.631  0.00  0.00    +0.086 C 
ENDBRANCH   1  15
BRANCH   9  18
ATOM     18  C   LIG    1        3.491  -2.092  -1.829  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        4.389  -2.564  -2.521  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        2.705  -2.929  -1.101  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        1.841  -2.634  -0.647  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        2.825  -3.922  -1.243  0.00  0.00    +0.145 HD
ENDBRANCH   9  18
TORSDOF 2