REMARK  Name = BDB036002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.067  -1.340  -1.078  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.067  -0.622  -0.410  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.418  -1.008  -0.484  0.00  0.00    -0.035 A 
ATOM      4  C   LIG    1       -2.750  -2.147  -1.230  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.759  -2.867  -1.894  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.423  -2.463  -1.821  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.406  -1.386  -1.506  0.00  0.00    +0.267 C 
ATOM      8  N   LIG    1        1.251  -0.870  -0.951  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1        1.400  -0.040  -0.378  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.507  -2.366  -2.235  0.00  0.00    -0.268 OA
BRANCH   7  16
ATOM     11  C   LIG    1        7.315  -0.551  -1.630  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1        5.920  -0.223  -1.192  0.00  0.00    +0.042 A 
ATOM     13  N   LIG    1        5.755   0.858  -0.401  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1        4.510   1.177   0.012  0.00  0.00    +0.133 A 
ATOM     15  N   LIG    1        3.421   0.471  -0.337  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1        3.631  -0.606  -1.132  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1        4.864  -1.004  -1.593  0.00  0.00    +0.056 A 
BRANCH  14  18
ATOM     18  C   LIG    1        4.332   2.387   0.893  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1        3.555   2.282   2.187  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1        5.043   2.467   2.226  0.00  0.00    +0.012 C 
ENDBRANCH  14  18
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -3.507  -0.224   0.240  0.00  0.00    +0.090 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.421   1.254  -0.026  0.00  0.00    +0.141 A 
ATOM     23  N   LIG    1       -3.705   1.852  -1.229  0.00  0.00    -0.320 N 
ATOM     24  C   LIG    1       -4.124   1.222  -2.451  0.00  0.00    +0.151 C 
ATOM     25  C   LIG    1       -3.487   3.183  -1.054  0.00  0.00    +0.224 A 
ATOM     26  N   LIG    1       -3.094   3.405   0.177  0.00  0.00    -0.138 NA
ATOM     27  N   LIG    1       -3.049   2.194   0.823  0.00  0.00    -0.134 NA
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  C   LIG    1       -3.426  -0.538   1.740  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -3.790  -1.986   2.184  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -4.428  -1.364   3.442  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -4.633  -0.081   2.613  0.00  0.00    +0.004 C 
ENDBRANCH  21  28
ENDBRANCH   3  21
TORSDOF 6