REMARK  Name = BDB028462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.283   1.492  -0.813  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -0.784   0.436  -0.434  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.110   0.110  -0.650  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -2.676  -1.234  -0.562  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -4.030  -1.213   0.146  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -4.908  -0.013  -0.269  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1       -4.377   0.672  -1.536  0.00  0.00    +0.027 C 
ATOM      8  C   LIG    1       -2.926   1.107  -1.339  0.00  0.00    +0.110 C 
ATOM      9  N   LIG    1       -0.057  -0.489   0.261  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.579  -0.995   0.959  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -6.371  -0.399  -0.389  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -6.825  -1.254  -1.406  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -8.174  -1.600  -1.497  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -9.088  -1.099  -0.573  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -8.652  -0.253   0.444  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.303   0.094   0.536  0.00  0.00    +0.004 A 
ENDBRANCH   6  11
BRANCH   9  17
ATOM     17  C   LIG    1        1.365  -0.299   0.538  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.643   0.796   1.584  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.579   2.107   1.012  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        0.894   2.090   0.307  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.987   0.615   2.343  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.287   0.637   1.653  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.644  -0.611   0.974  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        6.003  -0.563   0.305  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.606   0.666  -0.015  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.847   0.685  -0.666  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.474  -0.508  -1.022  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.871  -1.728  -0.723  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.951   1.959   0.405  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.641  -1.757  -0.066  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.468   1.789   0.765  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6