REMARK  Name = BDB021343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.710  -0.070  -0.488  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.959  -0.605   0.602  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.418  -0.597   0.476  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.931  -1.217   1.591  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.163  -1.524   2.366  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.076  -0.060  -0.645  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.382   0.419  -1.640  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.328  -1.133   1.755  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.993   0.411  -1.528  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.006   0.156  -0.577  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        5.306   0.508   0.579  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        3.909   0.440   0.598  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        3.192   0.008  -0.530  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.913  -0.383  -1.672  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        5.310  -0.312  -1.695  0.00  0.00    +0.013 A 
BRANCH  10  19
ATOM     16  C   LIG    1        7.636   2.607   0.108  0.00  0.00    +0.128 C 
ATOM     17  N   LIG    1        8.165   1.289  -0.159  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1        9.169   1.196  -0.259  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        7.486   0.194  -0.631  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        8.102  -0.751  -1.115  0.00  0.00    -0.270 OA
ENDBRANCH  10  19
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1        0.161  -2.167   3.645  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1        0.114  -2.684   4.684  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -2.452  -0.055  -0.721  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -2.693   0.171  -1.687  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.206   0.855   0.140  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.672   0.750  -0.168  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.414  -0.402   0.080  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.012  -1.689   0.698  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.245  -2.526   0.358  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.366  -1.642   0.130  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -6.776  -0.448  -0.192  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.462   0.630  -0.715  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -6.738   1.790  -0.984  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.364   1.841  -0.711  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -4.705   2.978  -0.976  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6