REMARK  Name = BDB028361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.512  -2.965  -1.045  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        2.076  -3.063  -0.916  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        1.204  -2.093  -0.464  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.047  -2.701  -0.473  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.192  -4.006  -0.960  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1        1.474  -4.218  -1.255  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.298  -2.100  -0.039  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.657  -0.804  -0.440  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.853  -0.227   0.006  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.700  -0.956   0.835  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.956  -0.342   1.296  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -5.192   0.944   0.873  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -6.050   1.385   1.188  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -4.376   1.692   0.081  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -5.741  -0.952   2.013  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -3.362  -2.254   1.229  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -3.268   1.156  -0.344  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -2.163  -2.822   0.793  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -2.365   2.022  -1.218  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.224   2.473  -0.419  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -0.639   3.092  -0.982  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -1.575   3.051   0.347  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        1.627  -0.749  -0.055  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        1.599  -0.323   1.283  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        1.986   0.986   1.607  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        2.399   1.887   0.613  0.00  0.00    -0.017 A 
ATOM     27  C   LIG    1        2.429   1.464  -0.734  0.00  0.00    -0.017 A 
ATOM     28  C   LIG    1        2.836   2.367  -1.729  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        3.211   3.670  -1.399  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        3.183   4.087  -0.071  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        2.780   3.201   0.929  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        2.043   0.152  -1.050  0.00  0.00    +0.019 A 
BRANCH  24  33
ATOM     33  C   LIG    1        1.194  -1.197   2.348  0.00  0.00    +0.100 C 
ATOM     34  N   LIG    1        0.882  -1.887   3.228  0.00  0.00    -0.191 NA
ENDBRANCH  24  33
ENDBRANCH   3  23
TORSDOF 5