REMARK  Name = BDB021941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.006  -0.687   0.019  0.00  0.00    -0.266 N 
ATOM      2  H   LIG    1       -2.143   0.278   0.309  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -0.738  -1.193   0.170  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1        0.280  -0.224   0.149  0.00  0.00    -0.275 N 
ATOM      5  O   LIG    1       -0.478  -2.386   0.314  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        1.656  -0.696   0.421  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1        2.335  -1.207  -0.861  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1        3.841  -1.324  -0.676  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        4.449  -0.040  -0.323  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1        5.759   0.310  -0.623  0.00  0.00    +0.212 C 
ATOM     11  O   LIG    1        6.210   1.435  -0.410  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1        6.631  -0.755  -1.240  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        3.608   0.946   0.353  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        2.533   0.292   1.210  0.00  0.00    +0.041 C 
ENDBRANCH   4   6
BRANCH   1  16
ATOM     15  C   LIG    1       -4.418  -0.671  -0.032  0.00  0.00    +0.141 A 
ATOM     16  C   LIG    1       -3.215  -1.399  -0.158  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1       -3.264  -2.758  -0.476  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -4.492  -3.398  -0.652  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.678  -2.682  -0.518  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.644  -1.321  -0.211  0.00  0.00    +0.047 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -5.462   1.429   0.417  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.274   0.664   0.264  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
ENDBRANCH   1  16
BRANCH   4  23
ATOM     23  C   LIG    1        0.087   1.070  -0.520  0.00  0.00    +0.183 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -0.296   2.128   0.452  0.00  0.00    +0.122 A 
ATOM     25  O   LIG    1       -1.503   1.986   1.074  0.00  0.00    -0.466 OA
ATOM     26  C   LIG    1       -1.655   3.050   1.902  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1       -0.569   3.887   1.812  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        0.308   3.297   0.870  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 5