REMARK  Name = BDB047327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.530  -0.534  -0.435  0.00  0.00    +0.070 C 
ENDROOT
BRANCH   1  12
ATOM      2  O   LIG    1       -3.377   3.117  -0.108  0.00  0.00    -0.273 OA
ATOM      3  C   LIG    1       -3.260   1.896  -0.051  0.00  0.00    +0.242 C 
ATOM      4  C   LIG    1       -4.479   0.973   0.022  0.00  0.00    +0.097 C 
ATOM      5  C   LIG    1       -4.276  -0.069  -1.084  0.00  0.00    +0.083 C 
ATOM      6  C   LIG    1       -5.270  -1.239  -1.084  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -6.750  -0.871  -1.093  0.00  0.00    +0.002 C 
ATOM      8  C   LIG    1       -7.224  -0.350   0.258  0.00  0.00    +0.000 C 
ATOM      9  C   LIG    1       -7.021   1.144   0.473  0.00  0.00    +0.001 C 
ATOM     10  N   LIG    1       -2.949  -0.643  -0.933  0.00  0.00    -0.331 N 
ATOM     11  H   LIG    1       -2.727  -1.448  -1.512  0.00  0.00    +0.147 HD
ATOM     12  C   LIG    1       -1.907   0.104  -0.455  0.00  0.00    +0.088 C 
ATOM     13  C   LIG    1       -5.779   1.774  -0.152  0.00  0.00    +0.014 C 
ATOM     14  N   LIG    1       -2.021   1.306   0.004  0.00  0.00    -0.170 NA
ENDBRANCH   1  12
BRANCH   1  15
ATOM     15  C   LIG    1       -0.209  -1.034   0.972  0.00  0.00    +0.023 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.087  -1.852   1.037  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1        2.274  -1.161   0.514  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        3.426  -2.075   0.463  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1        4.631  -1.423  -0.238  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1        4.883  -0.016   0.243  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1        3.951   0.626   0.970  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1        2.611   0.034   1.307  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1        6.171   0.624  -0.077  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1        7.386  -0.002   0.230  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        8.603   0.609  -0.083  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        8.618   1.854  -0.709  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.418   2.489  -1.021  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.202   1.877  -0.707  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5