REMARK  Name = BDB039124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.840  -3.983   0.136  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.546  -2.643   0.317  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.154  -2.241   0.156  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.929  -0.750   0.101  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.989   0.171   0.262  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        3.755   1.551   0.190  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.471   2.065  -0.013  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        1.423   1.145  -0.154  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1        0.059   1.280  -0.363  0.00  0.00    -0.324 N 
ATOM     10  C   LIG    1       -0.485   0.008  -0.409  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.456  -0.902  -0.254  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        5.396  -0.338   0.451  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.635  -0.227  -0.098  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.414  -1.738   1.059  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        4.041  -4.810  -0.288  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.933  -0.342  -0.617  0.00  0.00    +0.058 C 
ATOM     17  C   LIG    1       -2.158  -0.886  -2.031  0.00  0.00    +0.030 C 
ATOM     18  C   LIG    1       -3.621  -1.254  -2.242  0.00  0.00    +0.108 C 
ATOM     19  N   LIG    1       -4.133  -2.150  -1.207  0.00  0.00    -0.302 N 
ATOM     20  C   LIG    1       -5.223  -2.949  -1.555  0.00  0.00    +0.212 C 
ATOM     21  O   LIG    1       -5.685  -2.987  -2.696  0.00  0.00    -0.276 OA
ATOM     22  C   LIG    1       -5.830  -3.798  -0.466  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1       -3.851  -1.773   0.179  0.00  0.00    +0.108 C 
ATOM     24  C   LIG    1       -2.391  -1.395   0.401  0.00  0.00    +0.030 C 
ENDBRANCH  10  16
BRANCH   1  26
ATOM     25  C   LIG    1        6.463  -5.664   0.298  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        6.122  -4.290   0.481  0.00  0.00    -0.454 OA
ENDBRANCH   1  26
BRANCH   9  27
ATOM     27  C   LIG    1       -0.623   2.574  -0.469  0.00  0.00    +0.090 C 
ATOM     28  C   LIG    1       -1.376   2.747  -1.792  0.00  0.00    +0.031 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -1.471   2.867   0.786  0.00  0.00    +0.061 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.857   4.316   0.918  0.00  0.00    -0.027 A 
ATOM     31  C   LIG    1       -3.118   4.767   0.539  0.00  0.00    +0.114 A 
ATOM     32  N   LIG    1       -3.516   6.055   0.614  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1       -2.620   6.942   1.095  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1       -1.342   6.599   1.502  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1       -0.956   5.265   1.410  0.00  0.00    +0.006 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH   9  27
TORSDOF 5