REMARK  Name = BDB045971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.159  -0.254  -2.134  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -3.124   0.005  -1.242  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.480  -0.814  -0.198  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.511  -0.034   0.423  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -1.383   1.266  -0.198  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -2.748  -1.972   0.063  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.459   1.244  -1.232  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -2.801   2.262  -2.108  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -3.832   2.027  -3.012  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.497   0.789  -3.025  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.611  -0.567   1.457  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1        0.531  -1.399   0.866  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        1.720  -0.552   0.418  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1        2.203   0.302   1.511  0.00  0.00    -0.295 NA
ATOM     15  C   LIG    1        1.155   1.219   1.970  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -0.086   0.469   2.455  0.00  0.00    +0.038 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.409   1.062   1.126  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.620   0.203   0.974  0.00  0.00    +0.119 A 
ATOM     19  O   LIG    1        5.259  -0.168   2.123  0.00  0.00    -0.467 OA
ATOM     20  C   LIG    1        6.322  -0.929   1.759  0.00  0.00    +0.195 A 
ATOM     21  C   LIG    1        6.386  -1.046   0.391  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        5.290  -0.310  -0.119  0.00  0.00    +0.046 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   4  11
BRANCH   1  26
ATOM     23  N   LIG    1       -4.845  -2.490  -1.335  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -4.108  -2.518  -0.631  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.338  -3.355  -1.510  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -4.959  -1.504  -2.264  0.00  0.00    +0.242 C 
ATOM     27  O   LIG    1       -5.739  -1.652  -3.201  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 4