REMARK  Name = BDB006910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.804  -1.183  -1.122  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.481  -1.551  -1.500  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.745  -1.348  -0.916  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.737  -1.846  -1.758  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        4.059  -1.738  -1.385  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.441  -1.166  -0.224  0.00  0.00    -0.258 NA
ATOM      7  C   LIG    1        3.466  -0.686   0.597  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1        2.171  -2.429  -3.025  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        2.599  -3.884  -3.234  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        2.557  -1.576  -4.238  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.104  -0.775   0.288  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        0.655  -2.329  -2.738  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -1.769  -1.569  -1.793  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -0.976  -0.291   0.118  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.368   1.413   1.203  0.00  0.00    +0.071 C 
ATOM     16  N   LIG    1       -2.355   0.233   0.288  0.00  0.00    -0.288 NA
ATOM     17  C   LIG    1       -3.275  -0.814   0.773  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -4.738  -0.293   0.848  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -5.599  -1.227   1.697  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -4.882   1.093   1.354  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -4.938   1.693   0.529  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.663   1.488   2.078  0.00  0.00    +0.100 C 
BRANCH  15  24
ATOM     23  C   LIG    1       -1.937   3.946   1.117  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -2.194   2.672   0.321  0.00  0.00    +0.017 C 
ENDBRANCH  15  24
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  25
ATOM     25  C   LIG    1        3.913  -0.057   1.893  0.00  0.00    +0.198 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.511   1.340   1.967  0.00  0.00    -0.266 N 
ATOM     27  N   LIG    1        2.346   1.681   2.567  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        2.317   3.012   2.462  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1        3.448   3.525   1.801  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        4.205   2.419   1.495  0.00  0.00    +0.109 A 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 5