REMARK  Name = BDB061431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.328  -0.775   0.292  0.00  0.00    -0.302 N 
ATOM      2  H   LIG    1       -0.362   0.200   0.035  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.771  -1.338   0.883  0.00  0.00    +0.261 C 
ATOM      4  O   LIG    1        0.741  -2.461   1.380  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.955  -0.505   0.884  0.00  0.00    +0.103 A 
ATOM      6  N   LIG    1        2.163   0.616   0.112  0.00  0.00    -0.350 N 
ATOM      7  H   LIG    1        1.508   0.971  -0.569  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        3.399   1.175   0.355  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        4.019   0.365   1.305  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.315   0.693   1.744  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        5.947   1.822   1.218  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.306   2.614   0.268  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        4.010   2.318  -0.196  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1        3.376   3.208  -1.224  0.00  0.00    +0.046 C 
ATOM     15  C   LIG    1        3.114  -0.684   1.619  0.00  0.00    +0.040 A 
ENDBRANCH   3   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.620  -1.437   0.233  0.00  0.00    +0.125 C 
BRANCH  16  19
ATOM     17  C   LIG    1       -3.655  -3.063  -1.291  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -3.376  -1.627  -1.626  0.00  0.00    -0.027 A 
ATOM     19  C   LIG    1       -2.424  -0.861  -0.935  0.00  0.00    +0.065 A 
ATOM     20  N   LIG    1       -2.159   0.445  -1.259  0.00  0.00    -0.258 NA
ATOM     21  C   LIG    1       -2.854   0.991  -2.278  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1       -3.804   0.308  -3.013  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -4.062  -1.017  -2.683  0.00  0.00    +0.006 A 
ENDBRANCH  16  19
BRANCH  16  24
ATOM     24  C   LIG    1       -2.297  -1.287   1.580  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -2.632   0.073   2.156  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1       -3.739  -0.878   1.801  0.00  0.00    +0.006 C 
ENDBRANCH  16  24
ENDBRANCH   1  16
TORSDOF 4