REMARK  Name = BDB018749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.997  -0.886  -0.411  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.107  -0.326   0.255  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.416  -0.709  -0.067  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.595  -0.173   0.704  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1        3.865  -0.150  -0.162  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1        5.095   0.240   0.662  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1        5.072   1.732   0.696  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1        4.255   2.220  -0.446  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1        4.056  -1.499  -0.842  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1        2.927  -2.079  -1.361  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1        3.076  -2.901  -1.933  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        5.155  -2.019  -1.019  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        3.845   0.970  -1.214  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1        1.626  -1.672  -1.056  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        0.547  -2.253  -1.717  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -0.754  -1.855  -1.399  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  22
ATOM     17  C   LIG    1       -7.109   1.570   1.016  0.00  0.00    +0.173 C 
ATOM     18  N   LIG    1       -6.296   0.380   0.927  0.00  0.00    -0.267 N 
ATOM     19  C   LIG    1       -4.972   0.320   0.562  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -4.639  -1.029   0.631  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -3.330  -1.434   0.310  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.371  -0.476  -0.074  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1       -2.751   0.876  -0.128  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -5.826  -1.670   1.047  0.00  0.00    +0.143 A 
ATOM     25  C   LIG    1       -4.049   1.302   0.186  0.00  0.00    +0.028 A 
ATOM     26  N   LIG    1       -6.837  -0.817   1.229  0.00  0.00    -0.179 NA
ENDBRANCH   1  22
BRANCH   7  27
ATOM     27  C   LIG    1        5.961   2.482   1.359  0.00  0.00    +0.169 C 
ATOM     28  N   LIG    1        6.727   3.135   1.930  0.00  0.00    -0.174 NA
ENDBRANCH   7  27
TORSDOF 2