REMARK  Name = BDB032553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.634   0.807  -0.597  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        3.452   1.797  -1.554  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.252   2.624  -1.944  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.070   1.679  -2.031  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.392   2.463  -2.946  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        0.065   2.127  -3.222  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -0.534   1.025  -2.588  0.00  0.00    +0.162 A 
ATOM      8  O   LIG    1       -1.839   0.762  -2.923  0.00  0.00    -0.485 OA
ATOM      9  C   LIG    1       -2.200  -0.576  -2.563  0.00  0.00    +0.276 C 
ATOM     10  C   LIG    1       -1.796  -0.899  -1.126  0.00  0.00    +0.236 C 
ATOM     11  O   LIG    1       -0.367  -0.796  -0.968  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        0.172   0.259  -1.649  0.00  0.00    +0.168 A 
ATOM     13  C   LIG    1        1.484   0.591  -1.387  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        2.461  -0.050  -0.464  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  21
ATOM     15  O   LIG    1        5.686  -3.118   1.895  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        5.537  -2.013   1.382  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1        6.052  -1.735   0.146  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1        6.428  -2.554  -0.314  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1        5.494  -0.821  -0.711  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1        5.418  -1.070  -1.913  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        4.954   0.469  -0.069  0.00  0.00    +0.163 C 
ATOM     22  C   LIG    1        5.003   0.431   1.460  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1        4.680  -0.945   2.016  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
BRANCH  10  24
ATOM     24  C   LIG    1       -2.517  -0.013  -0.098  0.00  0.00    +0.208 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -2.311  -0.561   1.212  0.00  0.00    -0.371 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.952   0.205   2.235  0.00  0.00    +0.195 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.432  -0.080   2.301  0.00  0.00    -0.022 A 
ATOM     28  C   LIG    1       -4.898  -1.401   2.373  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -6.266  -1.667   2.446  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.181  -0.616   2.452  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.729   0.701   2.388  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.361   0.970   2.315  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  10  24
TORSDOF 5