REMARK  Name = BDB058604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.070   0.619  -0.189  0.00  0.00    +0.053 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.546   0.829  -0.149  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        3.489   0.131   0.574  0.00  0.00    +0.120 A 
ATOM      4  N   LIG    1        4.734   0.679   0.296  0.00  0.00    -0.220 N 
ATOM      5  N   LIG    1        4.609   1.708  -0.582  0.00  0.00    -0.173 NA
ATOM      6  C   LIG    1        3.306   1.790  -0.840  0.00  0.00    +0.138 A 
BRANCH   4   7
ATOM      7  C   LIG    1        5.974   0.220   0.860  0.00  0.00    +0.180 A 
ATOM      8  C   LIG    1        7.205   0.813   0.540  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1        8.328   0.255   1.169  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        9.652   0.833   0.875  0.00  0.00    +0.259 A 
ATOM     11  N   LIG    1        9.665   1.882  -0.002  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1       10.566   2.287  -0.212  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        8.530   2.369  -0.573  0.00  0.00    +0.200 A 
ATOM     14  O   LIG    1       10.678   0.400   1.386  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1        8.236  -0.819   2.054  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        6.984  -1.329   2.301  0.00  0.00    +0.114 A 
ATOM     17  N   LIG    1        7.356   1.899  -0.347  0.00  0.00    -0.233 NA
ATOM     18  N   LIG    1        5.865  -0.841   1.732  0.00  0.00    -0.234 NA
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  C   LIG    1        0.647  -0.295  -1.356  0.00  0.00    +0.089 C 
BRANCH  19  28
ATOM     20  C   LIG    1       -7.937  -1.653   1.177  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -6.716  -0.791   1.075  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1       -5.762  -0.981   0.075  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1       -5.818  -2.035  -0.990  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1       -4.858  -1.434  -2.006  0.00  0.00    +0.016 C 
ATOM     25  C   LIG    1       -3.725  -0.727  -1.191  0.00  0.00    -0.001 C 
ATOM     26  C   LIG    1       -3.038   0.272  -2.146  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1       -1.576   0.610  -1.835  0.00  0.00    +0.085 C 
ATOM     28  N   LIG    1       -0.792  -0.579  -1.503  0.00  0.00    -0.302 NA
ATOM     29  C   LIG    1       -1.354  -1.275  -0.346  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1       -2.738  -1.811  -0.690  0.00  0.00    +0.027 C 
ATOM     31  C   LIG    1       -4.589  -0.184  -0.041  0.00  0.00    -0.035 A 
ATOM     32  C   LIG    1       -4.407   0.877   0.849  0.00  0.00    -0.046 A 
ATOM     33  C   LIG    1       -3.255   1.830   0.819  0.00  0.00    +0.044 C 
ATOM     34  C   LIG    1       -5.386   1.083   1.845  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1       -6.515   0.265   1.960  0.00  0.00    +0.004 A 
ENDBRANCH  19  28
ENDBRANCH   1  19
TORSDOF 4