REMARK  Name = BDB013721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.007  -1.808   0.802  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1       -0.192  -0.286   0.904  0.00  0.00    +0.090 C 
ENDROOT
BRANCH   2   3
ATOM      3  N   LIG    1       -1.581   0.017   1.298  0.00  0.00    -0.323 N 
ATOM      4  H   LIG    1       -1.641   0.858   1.859  0.00  0.00    +0.148 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -2.700  -0.269   0.533  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1       -4.037   0.151   1.037  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -5.133  -0.025   0.202  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -6.411   0.378   0.616  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -6.590   0.944   1.877  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.498   1.098   2.729  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.949  -0.662  -1.111  0.00  0.00    +0.275 A 
ATOM     12  O   LIG    1       -5.911  -0.774  -1.867  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -3.668  -1.113  -1.398  0.00  0.00    -0.230 N 
ATOM     14  C   LIG    1       -3.395  -1.748  -2.674  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1       -4.224   0.700   2.315  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -2.574  -0.877  -0.611  0.00  0.00    -0.153 NA
ENDBRANCH   3   5
ENDBRANCH   2   3
BRANCH   2  17
ATOM     17  C   LIG    1        0.285   0.488  -0.383  0.00  0.00    +0.109 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.714   0.156  -0.765  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        2.865   0.136   0.002  0.00  0.00    +0.119 A 
ATOM     20  N   LIG    1        3.912  -0.232  -0.819  0.00  0.00    -0.240 N 
ATOM     21  N   LIG    1        3.477  -0.477  -2.081  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1        2.170  -0.224  -2.044  0.00  0.00    +0.140 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.287  -0.378  -0.476  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        6.203  -0.779  -1.462  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        7.555  -0.929  -1.149  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        8.004  -0.681   0.147  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.101  -0.281   1.131  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.745  -0.129   0.825  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  17  18
BRANCH  17  29
ATOM     29  N   LIG    1        0.197   1.972  -0.390  0.00  0.00    -0.300 NA
ATOM     30  C   LIG    1        0.566   2.641   0.849  0.00  0.00    +0.105 C 
ATOM     31  C   LIG    1       -1.079   2.464  -0.899  0.00  0.00    +0.105 C 
ENDBRANCH  17  29
ENDBRANCH   2  17
TORSDOF 6