REMARK  Name = BDB049958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.010  -0.324   0.766  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        1.531  -0.144   0.397  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.077  -1.473   0.009  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.226  -1.902  -0.208  0.00  0.00    +0.267 C 
ATOM      5  O   LIG    1       -0.458  -3.097  -0.412  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.183  -2.411  -0.026  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        3.424  -1.536  -0.071  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.338  -0.923  -0.198  0.00  0.00    +0.147 A 
ATOM      9  N   LIG    1       -1.200   0.416  -0.131  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1       -2.454   0.890  -0.161  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -2.587   1.895  -0.115  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -3.414  -0.078  -0.255  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -2.719  -1.266  -0.285  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -4.882   0.211  -0.310  0.00  0.00    +0.031 C 
ATOM     15  C   LIG    1       -5.242   1.033  -1.547  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -5.361   0.905   0.965  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  19
ATOM     17  C   LIG    1        5.842   2.183   0.584  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1        5.078   0.976   1.059  0.00  0.00    +0.210 C 
ATOM     19  N   LIG    1        3.828   0.845   0.499  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1        3.611   1.402  -0.319  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1        5.549   0.182   1.866  0.00  0.00    -0.276 OA
ENDBRANCH   1  19
TORSDOF 3