REMARK  Name = BDB008398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.819   1.698   0.305  0.00  0.00    +0.076 A 
ATOM      2  C   LIG    1       -0.331   1.281   0.995  0.00  0.00    +0.143 A 
ATOM      3  C   LIG    1       -1.266   2.209   1.458  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.099   3.575   1.189  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        0.035   4.003   0.463  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        0.198   5.371   0.193  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -0.743   6.304   0.634  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.857   5.882   1.353  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.034   4.526   1.630  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        0.985   3.057   0.033  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1  13
ATOM     11  O   LIG    1        3.383   1.873  -1.211  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        2.915   0.827  -0.777  0.00  0.00    +0.253 C 
ATOM     13  N   LIG    1        1.738   0.699  -0.074  0.00  0.00    -0.278 N 
ATOM     14  H   LIG    1        1.488  -0.245   0.226  0.00  0.00    +0.155 HD
BRANCH  12  15
ATOM     15  C   LIG    1        3.612  -0.431  -0.996  0.00  0.00    +0.101 A 
ATOM     16  C   LIG    1        3.240  -1.708  -0.617  0.00  0.00    +0.168 A 
ATOM     17  N   LIG    1        4.255  -2.562  -1.064  0.00  0.00    -0.221 N 
ATOM     18  C   LIG    1        4.180  -3.932  -0.830  0.00  0.00    +0.116 A 
ATOM     19  C   LIG    1        3.134  -4.451  -0.173  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        2.107  -3.464   0.260  0.00  0.00    +0.114 A 
ATOM     21  N   LIG    1        5.236  -1.888  -1.708  0.00  0.00    -0.173 NA
ATOM     22  N   LIG    1        2.140  -2.180   0.058  0.00  0.00    -0.235 NA
ATOM     23  C   LIG    1        4.843  -0.614  -1.661  0.00  0.00    +0.150 A 
ENDBRANCH  12  15
ENDBRANCH   1  13
BRANCH   2  24
ATOM     24  O   LIG    1       -0.469  -0.060   1.266  0.00  0.00    -0.487 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.649  -0.649   0.694  0.00  0.00    +0.174 C 
ATOM     26  C   LIG    1       -1.443  -0.927  -0.806  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -2.283  -2.087  -1.341  0.00  0.00    +0.035 C 
ATOM     28  C   LIG    1       -3.532  -2.330  -0.502  0.00  0.00    +0.115 C 
ATOM     29  C   LIG    1       -3.175  -2.664   0.949  0.00  0.00    +0.035 C 
ATOM     30  C   LIG    1       -1.919  -1.952   1.448  0.00  0.00    +0.047 C 
BRANCH  28  31
ATOM     31  O   LIG    1       -4.283  -3.408  -1.045  0.00  0.00    -0.392 OA
ATOM     32  H   LIG    1       -4.524  -3.171  -1.958  0.00  0.00    +0.210 HD
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 5