REMARK  Name = BDB008551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.305  -0.929   1.607  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -2.168  -0.918   2.878  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        2.260   0.369   1.055  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        2.199   1.651   1.625  0.00  0.00    -0.009 A 
ATOM      5  C   LIG    1        3.402   2.552   1.629  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        0.995   2.096   2.185  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -0.136   1.277   2.188  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -0.090  -0.008   1.637  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1        1.122  -0.446   1.065  0.00  0.00    +0.051 A 
BRANCH   3  10
ATOM     10  O   LIG    1        3.472   0.016   0.523  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1        3.563  -1.236  -0.154  0.00  0.00    +0.231 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.971  -1.383  -0.718  0.00  0.00    +0.069 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.291  -0.298  -1.744  0.00  0.00    +0.163 C 
BRANCH  13  15
ATOM     14  C   LIG    1        7.658  -0.117  -1.621  0.00  0.00    +0.193 C 
ATOM     15  O   LIG    1        6.541  -0.554  -2.385  0.00  0.00    -0.383 OA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  N   LIG    1       -2.085  -0.782   0.353  0.00  0.00    -0.289 N 
ATOM     17  C   LIG    1       -2.863   0.375   0.163  0.00  0.00    +0.246 C 
ATOM     18  O   LIG    1       -3.067   1.190   1.068  0.00  0.00    -0.273 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -3.504   0.598  -1.237  0.00  0.00    +0.217 C 
ATOM     20  O   LIG    1       -3.626   1.967  -1.643  0.00  0.00    -0.365 OA
ATOM     21  C   LIG    1       -4.631   2.706  -0.935  0.00  0.00    +0.176 C 
ATOM     22  C   LIG    1       -5.873   1.877  -0.571  0.00  0.00    +0.109 C 
ATOM     23  N   LIG    1       -6.048   0.734  -1.480  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -6.025   1.107  -2.432  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -4.866  -0.140  -1.325  0.00  0.00    +0.122 C 
ENDBRANCH  17  19
BRANCH  16  26
ATOM     26  C   LIG    1       -1.700  -1.646  -0.747  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1       -2.673  -2.619  -1.368  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -1.508  -3.137  -0.591  0.00  0.00    +0.024 C 
ENDBRANCH  16  26
ENDBRANCH   1  16
TORSDOF 9