REMARK  Name = BDB046063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.804   2.148   0.300  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.139   0.999   0.569  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1       -0.235  -0.018   0.737  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -0.534  -0.951   1.012  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.194   0.215   0.667  0.00  0.00    +0.200 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.951  -1.098   0.892  0.00  0.00    +0.233 C 
ATOM      7  N   LIG    1        3.338  -1.061   0.804  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        4.117   0.184   0.868  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1        5.494   0.070   0.190  0.00  0.00    +0.127 C 
ATOM     10  N   LIG    1        6.210  -1.127   0.653  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        5.452  -2.381   0.523  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.078  -2.264   1.202  0.00  0.00    +0.127 C 
ATOM     13  O   LIG    1        1.330  -2.141   1.125  0.00  0.00    -0.274 OA
BRANCH  10  14
ATOM     14  C   LIG    1        7.521  -1.214   0.172  0.00  0.00    +0.218 A 
ATOM     15  N   LIG    1        8.118  -2.418   0.124  0.00  0.00    -0.223 NA
ATOM     16  C   LIG    1        9.391  -2.475  -0.311  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1       10.106  -1.376  -0.707  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        9.426  -0.189  -0.629  0.00  0.00    +0.116 A 
ATOM     19  N   LIG    1        8.154  -0.087  -0.200  0.00  0.00    -0.223 NA
ENDBRANCH  10  14
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.575   0.553   0.712  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.526   1.745   0.663  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.935   1.327   0.715  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -5.456   1.079   1.984  0.00  0.00    +0.330 A 
ATOM     24  O   LIG    1       -4.808   1.165   3.025  0.00  0.00    -0.246 OA
ATOM     25  N   LIG    1       -6.767   0.707   2.032  0.00  0.00    -0.275 N 
ATOM     26  H   LIG    1       -7.149   0.517   2.944  0.00  0.00    +0.173 HD
ATOM     27  C   LIG    1       -7.582   0.506   0.964  0.00  0.00    +0.257 A 
ATOM     28  O   LIG    1       -8.739   0.119   1.094  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.987   0.772  -0.366  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1       -7.902   0.600  -1.547  0.00  0.00    +0.042 C 
ATOM     31  C   LIG    1       -7.343   1.207  -2.832  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1       -5.868   0.868  -2.985  0.00  0.00    +0.006 C 
ATOM     33  C   LIG    1       -5.057   1.399  -1.799  0.00  0.00    +0.054 C 
ATOM     34  C   LIG    1       -5.697   1.154  -0.445  0.00  0.00    +0.032 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6