REMARK  Name = BDB014378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.797   0.322   0.037  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -0.163  -0.380   0.924  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -1.125   0.602   1.627  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -1.836   1.466   0.656  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.979   1.988  -0.436  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1        0.528   1.754  -0.185  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.107   1.090   0.353  0.00  0.00    +0.197 A 
ATOM      8  N   LIG    1       -3.894   1.844  -0.479  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -3.615   2.714  -0.901  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -5.119   1.238  -0.596  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1       -5.015   0.099   0.201  0.00  0.00    +0.103 A 
ATOM     12  C   LIG    1       -6.128  -0.756   0.296  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -7.302  -0.431  -0.411  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -7.367   0.722  -1.197  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -6.271   1.585  -1.306  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -3.775   0.053   0.799  0.00  0.00    -0.214 NA
BRANCH  12  17
ATOM     17  C   LIG    1       -6.062  -1.985   1.110  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -5.107  -2.747   1.097  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1       -7.159  -2.244   1.892  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -7.812  -1.510   2.128  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -7.046  -3.001   2.554  0.00  0.00    +0.145 HD
ENDBRANCH  12  17
ENDBRANCH   4   7
BRANCH   1  25
ATOM     22  C   LIG    1        4.817  -0.754   0.159  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        4.388   0.558   0.090  0.00  0.00    +0.126 A 
ATOM     24  N   LIG    1        3.083   0.923   0.039  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1        2.137  -0.044   0.103  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        2.507  -1.391   0.190  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1        3.856  -1.752   0.231  0.00  0.00    +0.018 A 
BRANCH  22  30
ATOM     28  C   LIG    1        8.539  -0.804  -0.567  0.00  0.00    +0.132 C 
ATOM     29  N   LIG    1        7.115  -0.570  -0.739  0.00  0.00    -0.304 N 
ATOM     30  C   LIG    1        6.250  -1.087   0.226  0.00  0.00    +0.248 C 
ATOM     31  O   LIG    1        6.619  -1.802   1.155  0.00  0.00    -0.270 OA
ATOM     32  C   LIG    1        6.701  -0.119  -2.061  0.00  0.00    +0.132 C 
ENDBRANCH  22  30
ENDBRANCH   1  25
TORSDOF 4