REMARK  Name = BDB021015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.683  -4.533  -0.773  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.288  -3.308  -1.413  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.644  -2.095  -1.201  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -2.297  -2.013  -0.629  0.00  0.00    +0.163 C 
ATOM      5  C   LIG    1       -1.949  -0.626  -0.226  0.00  0.00    +0.064 A 
ATOM      6  N   LIG    1       -2.775   0.448  -0.458  0.00  0.00    -0.328 N 
ATOM      7  C   LIG    1       -2.150   1.583  -0.027  0.00  0.00    +0.114 A 
ATOM      8  N   LIG    1       -0.954   1.302   0.442  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -4.074   0.333  -1.084  0.00  0.00    +0.142 C 
ATOM     10  C   LIG    1       -0.825  -0.066   0.355  0.00  0.00    +0.094 A 
ATOM     11  C   LIG    1       -4.126  -0.925  -1.941  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1       -5.321  -3.405  -2.076  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1        0.382  -0.758   0.763  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        1.625  -0.227   0.378  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        2.819  -0.877   0.756  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        4.217  -0.679   0.574  0.00  0.00    +0.103 A 
ATOM     17  N   LIG    1        4.941  -1.657   1.133  0.00  0.00    -0.170 NA
ATOM     18  N   LIG    1        4.022  -2.452   1.707  0.00  0.00    -0.266 N 
ATOM     19  C   LIG    1        4.453  -3.618   2.441  0.00  0.00    +0.173 C 
ATOM     20  C   LIG    1        2.725  -2.046   1.510  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        1.501  -2.586   1.927  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        0.333  -1.915   1.545  0.00  0.00    +0.012 A 
BRANCH  16  23
ATOM     23  C   LIG    1        4.853   0.428  -0.134  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        4.366   1.662  -0.503  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        5.398   2.302  -1.128  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        5.380   3.631  -1.689  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        6.527   1.573  -1.193  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        6.194   0.434  -0.573  0.00  0.00    +0.144 A 
ENDBRANCH  16  23
ENDBRANCH  10  13
BRANCH   7  29
ATOM     29  C   LIG    1       -2.733   3.025  -0.096  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -3.978   3.268   0.794  0.00  0.00    +0.011 C 
ATOM     31  C   LIG    1       -3.408   4.673   1.076  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1       -2.014   4.082   0.780  0.00  0.00    +0.011 C 
ENDBRANCH   7  29
TORSDOF 3