REMARK  Name = BDB040361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.391  -0.702   1.463  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.096   0.681   1.222  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.424   0.707   0.428  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.456  -0.073   1.143  0.00  0.00    -0.325 N 
ATOM      5  C   LIG    1       -2.014  -1.467   1.394  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.670  -1.467   2.162  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.785   0.024   0.704  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -4.879  -0.096   1.588  0.00  0.00    +0.162 A 
ATOM      9  N   LIG    1       -6.186  -0.027   1.219  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1       -6.444   0.189  -0.090  0.00  0.00    +0.127 A 
ATOM     11  C   LIG    1       -5.448   0.336  -1.046  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -4.115   0.251  -0.640  0.00  0.00    +0.028 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.891   0.278  -0.475  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -8.230  -0.296  -1.693  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -7.585  -0.951  -2.114  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -9.614  -0.378  -2.088  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -8.709   0.816   0.262  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
BRANCH   8  18
ATOM     18  C   LIG    1       -4.678  -0.286   3.002  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1       -4.490  -0.468   4.136  0.00  0.00    -0.189 NA
ENDBRANCH   8  18
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1        1.623  -0.703   2.270  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1        6.612   0.828  -1.631  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        5.840  -0.289  -2.271  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1        6.163  -0.763  -3.356  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1        4.747  -0.762  -1.591  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1        4.241  -1.516  -2.033  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        4.327  -0.243  -0.362  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        5.030   0.804   0.229  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1        4.692   1.365   1.409  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1        3.599   0.854   2.022  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        2.822  -0.187   1.513  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1        3.210  -0.749   0.289  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1        6.203   1.337  -0.455  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1        9.022   0.449  -2.234  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        7.807   1.355  -2.377  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 6