REMARK  Name = BDB012926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.515  -1.846  -1.300  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.924  -0.808  -0.597  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.493  -0.872  -0.270  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -0.790   0.450   0.441  0.00  0.00    +0.093 C 
ATOM      5  C   LIG    1        0.190   1.409  -0.238  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.433   0.548  -0.423  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.844  -2.803  -1.682  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.985  -1.903  -2.419  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        5.128  -1.297  -1.233  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.884  -1.273  -0.730  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.758  -0.918   0.211  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.927  -1.759  -1.575  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.630  -2.225  -2.668  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.174  -3.112  -2.645  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        6.166  -2.170  -3.307  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        6.850  -0.874  -3.749  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.171   0.875   0.331  0.00  0.00    -0.295 N 
ATOM     18  H   LIG    1       -2.600   0.831  -0.583  0.00  0.00    +0.151 HD
ATOM     19  C   LIG    1       -2.638   1.897   1.121  0.00  0.00    +0.300 C 
ATOM     20  N   LIG    1       -3.934   2.208   0.806  0.00  0.00    -0.295 N 
ATOM     21  H   LIG    1       -4.479   1.438   0.448  0.00  0.00    +0.151 HD
ATOM     22  O   LIG    1       -1.972   2.454   1.982  0.00  0.00    -0.253 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.668   3.185   1.581  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.520   2.516   2.630  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -6.879   2.262   2.395  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -7.656   1.622   3.362  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.082   1.226   4.569  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.731   1.466   4.810  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.953   2.106   3.845  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  17
TORSDOF 5