REMARK  Name = BDB048372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.359   4.994   2.879  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.526   3.874   2.397  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.048   3.080   1.363  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.981   2.050   0.865  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.268   1.044   0.035  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.707  -0.187  -0.524  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.283  -0.762  -1.217  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1        1.340   0.063  -1.086  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1        1.046   1.173  -0.359  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        1.935   2.297   0.013  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        1.062   3.485   0.470  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -1.625   3.684   2.922  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -1.968  -0.649  -0.337  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -2.578  -0.105   0.261  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.624  -1.812  -0.802  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -3.949  -2.047  -0.386  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -4.664  -3.184  -0.798  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1       -6.084  -3.386  -0.361  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -4.052  -4.092  -1.664  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -2.743  -3.878  -2.087  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.038  -2.749  -1.657  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1        2.605  -0.292  -1.719  0.00  0.00    +0.179 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.654  -0.698  -0.714  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1        3.415  -1.725   0.206  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        4.417  -2.067   1.100  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1        5.628  -1.472   1.132  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        5.848  -0.495   0.229  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        4.909  -0.079  -0.703  0.00  0.00    +0.025 A 
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 4