REMARK  Name = BDB045991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.083   0.908   0.649  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1       -2.339   1.442   0.396  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.652   2.119  -0.566  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -3.238   1.024   1.490  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -2.480   0.171   2.313  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -3.025  -0.429   3.437  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -4.358  -0.166   3.736  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -5.116   0.686   2.915  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -4.570   1.305   1.769  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -1.089   0.021   1.794  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        2.364  -0.154  -1.724  0.00  0.00    -0.302 NA
ATOM     12  C   LIG    1        1.036  -0.133  -2.357  0.00  0.00    +0.086 C 
ATOM     13  C   LIG    1       -0.124  -0.175  -1.361  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1        0.007   0.951  -0.328  0.00  0.00    +0.079 C 
ATOM     15  C   LIG    1        1.395   0.938   0.319  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        2.488   0.938  -0.750  0.00  0.00    +0.086 C 
BRANCH  11  17
ATOM     17  C   LIG    1        2.699  -1.486  -1.195  0.00  0.00    +0.087 C 
BRANCH  17  19
ATOM     18  C   LIG    1        4.412  -3.094  -0.291  0.00  0.00    +0.008 C 
ATOM     19  C   LIG    1        4.183  -1.668  -0.801  0.00  0.00    -0.003 C 
ATOM     20  C   LIG    1        5.128  -1.379  -1.970  0.00  0.00    +0.008 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  21
ATOM     21  C   LIG    1       -5.495   2.188   1.003  0.00  0.00    +0.242 C 
ATOM     22  O   LIG    1       -6.689   2.239   1.288  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -5.023   2.960  -0.011  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -5.699   3.474  -0.558  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -4.094   2.851  -0.416  0.00  0.00    +0.145 HD
ENDBRANCH   9  21
TORSDOF 4