REMARK  Name = BDB008643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.104  -2.283   1.012  0.00  0.00    -0.346 N 
ATOM      2  C   LIG    1        0.818  -1.815   0.841  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1        0.235  -1.749   2.108  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -1.077  -1.278   2.212  0.00  0.00    +0.121 A 
ATOM      5  N   LIG    1       -1.764  -0.887   1.110  0.00  0.00    -0.257 NA
ATOM      6  C   LIG    1       -1.185  -0.967  -0.117  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        1.200  -2.222   3.054  0.00  0.00    -0.024 A 
ATOM      8  C   LIG    1        1.015  -2.347   4.522  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        0.114  -1.439  -0.307  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        2.335  -2.546   2.337  0.00  0.00    +0.090 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.046  -0.515  -1.303  0.00  0.00    +0.122 C 
ATOM     12  C   LIG    1       -2.378  -1.712  -2.200  0.00  0.00    +0.035 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -1.476   0.669  -2.002  0.00  0.00    -0.288 N 
ATOM     14  C   LIG    1       -1.460   1.938  -1.390  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -0.626   2.795  -1.709  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -2.531   2.241  -0.319  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -3.845   2.051  -0.882  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -4.830   2.948  -0.353  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -4.570   3.304   1.116  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -3.306   4.035   1.299  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -2.919   3.803   2.213  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -2.334   3.670   0.243  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -0.574   0.453  -3.122  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -0.567   1.392  -4.309  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -1.063  -0.006  -4.476  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   6  11
BRANCH   1  26
ATOM     26  C   LIG    1        3.086  -2.476  -0.043  0.00  0.00    +0.124 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.728  -1.173  -0.525  0.00  0.00    +0.049 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.559  -0.474   0.546  0.00  0.00    +0.161 C 
BRANCH  28  30
ATOM     29  C   LIG    1        6.378  -0.771   2.012  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        5.590  -1.358   0.984  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8