REMARK  Name = BDB050634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.971  -1.232  -0.043  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1        2.090  -1.009  -0.873  0.00  0.00    +0.282 C 
ATOM      3  O   LIG    1        2.503  -1.911  -1.606  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        2.771   0.288  -0.829  0.00  0.00    +0.197 A 
ATOM      5  N   LIG    1        3.618   0.782  -1.804  0.00  0.00    -0.323 N 
ATOM      6  C   LIG    1        3.918   0.130  -3.058  0.00  0.00    +0.151 C 
ATOM      7  C   LIG    1        4.115   1.994  -1.384  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        3.543   2.177  -0.130  0.00  0.00    +0.090 A 
ATOM      9  C   LIG    1        3.841   3.333   0.607  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.713   4.278   0.055  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        5.278   4.075  -1.204  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.992   2.926  -1.953  0.00  0.00    +0.028 A 
ATOM     13  N   LIG    1        2.729   1.125   0.199  0.00  0.00    -0.223 NA
ENDBRANCH   2   4
BRANCH   1  14
ATOM     14  C   LIG    1        0.125  -0.131   0.491  0.00  0.00    +0.091 C 
ATOM     15  C   LIG    1       -1.335  -0.185  -0.012  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -2.360  -0.023   1.117  0.00  0.00    +0.091 C 
ATOM     17  C   LIG    1       -1.996  -0.963   2.275  0.00  0.00    +0.093 C 
ATOM     18  N   LIG    1       -0.672  -0.725   2.854  0.00  0.00    -0.313 NA
ATOM     19  H   LIG    1       -0.247  -1.613   3.115  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1        0.238   0.062   2.020  0.00  0.00    +0.103 C 
BRANCH  16  21
ATOM     21  C   LIG    1       -3.767  -0.342   0.606  0.00  0.00    +0.220 C 
ATOM     22  N   LIG    1       -4.383   0.566  -0.241  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -3.915   1.922  -0.555  0.00  0.00    +0.136 C 
ATOM     24  C   LIG    1       -5.095   2.861  -0.832  0.00  0.00    +0.179 C 
ATOM     25  O   LIG    1       -5.924   2.430  -1.918  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1       -5.974   1.005  -2.085  0.00  0.00    +0.179 C 
ATOM     27  C   LIG    1       -5.694   0.222  -0.799  0.00  0.00    +0.136 C 
ATOM     28  O   LIG    1       -4.322  -1.400   0.910  0.00  0.00    -0.275 OA
ENDBRANCH  16  21
ENDBRANCH   1  14
BRANCH   1  29
ATOM     29  C   LIG    1        0.599  -2.628   0.226  0.00  0.00    +0.111 C 
BRANCH  29  31
ATOM     30  C   LIG    1        0.676  -4.543   1.849  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1        1.400  -3.280   1.375  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        2.835  -3.634   0.983  0.00  0.00    +0.009 C 
ENDBRANCH  29  31
ENDBRANCH   1  29
TORSDOF 5