REMARK  Name = BDB058564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.198   0.420  -0.271  0.00  0.00    -0.279 N 
ATOM      2  C   LIG    1       -4.075   0.271   0.815  0.00  0.00    +0.279 A 
ATOM      3  O   LIG    1       -5.264  -0.024   0.728  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -3.440   0.513   2.061  0.00  0.00    +0.130 A 
ATOM      5  C   LIG    1       -2.133   0.864   2.169  0.00  0.00    +0.097 A 
ATOM      6  C   LIG    1       -1.811   1.035   3.522  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.972   0.774   4.228  0.00  0.00    +0.085 A 
ATOM      8  N   LIG    1       -1.300   1.013   1.074  0.00  0.00    -0.214 NA
ATOM      9  N   LIG    1       -3.962   0.457   3.324  0.00  0.00    -0.355 N 
ATOM     10  H   LIG    1       -4.922   0.220   3.543  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -1.844   0.785  -0.095  0.00  0.00    +0.199 A 
ENDROOT
BRANCH  11  12
ATOM     12  N   LIG    1       -1.053   0.912  -1.221  0.00  0.00    -0.311 N 
ATOM     13  H   LIG    1       -1.383   0.470  -2.064  0.00  0.00    +0.149 HD
BRANCH  12  14
ATOM     14  C   LIG    1        0.399   1.109  -1.233  0.00  0.00    +0.088 C 
ATOM     15  C   LIG    1        0.852   2.441  -0.587  0.00  0.00    +0.106 C 
ATOM     16  N   LIG    1        2.312   2.666  -0.619  0.00  0.00    -0.303 NA
ATOM     17  C   LIG    1        2.798   3.033  -1.944  0.00  0.00    +0.105 C 
ATOM     18  C   LIG    1        3.029   1.511  -0.048  0.00  0.00    +0.092 C 
ATOM     19  C   LIG    1        2.663   0.147  -0.680  0.00  0.00    +0.035 C 
ATOM     20  C   LIG    1        1.143  -0.091  -0.639  0.00  0.00    +0.033 C 
BRANCH  19  21
ATOM     21  C   LIG    1        3.433  -0.997  -0.040  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1        4.363  -1.724  -0.798  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        5.083  -2.776  -0.227  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.885  -3.113   1.110  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.967  -2.399   1.876  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.246  -1.347   1.306  0.00  0.00    +0.004 A 
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH   1  27
ATOM     27  C   LIG    1       -3.781   0.168  -1.591  0.00  0.00    +0.132 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.502  -1.252  -2.114  0.00  0.00    +0.048 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -3.417  -3.308  -0.672  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -4.116  -2.338  -1.275  0.00  0.00    -0.033 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 6