REMARK  Name = BDB013726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.065  -1.623  -0.266  0.00  0.00    +0.090 C 
ATOM      2  C   LIG    1       -0.430  -2.783  -1.204  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1       -0.386  -0.362  -0.947  0.00  0.00    -0.323 N 
ATOM      4  H   LIG    1        0.232  -0.224  -1.741  0.00  0.00    +0.148 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -1.667   0.148  -1.023  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1       -1.949   1.276  -1.951  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -3.264   1.712  -2.063  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -3.591   2.762  -2.934  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -2.595   3.382  -3.686  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.273   2.961  -3.564  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.311   1.082  -1.243  0.00  0.00    +0.275 A 
ATOM     12  O   LIG    1       -5.476   1.451  -1.368  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -3.889   0.099  -0.358  0.00  0.00    -0.230 N 
ATOM     14  C   LIG    1       -4.847  -0.571   0.501  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1       -0.946   1.914  -2.697  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -2.604  -0.366  -0.277  0.00  0.00    -0.153 NA
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1        1.469  -1.677   0.114  0.00  0.00    +0.108 C 
BRANCH  17  21
ATOM     18  C   LIG    1        2.433   0.203   3.835  0.00  0.00    +0.214 A 
ATOM     19  N   LIG    1        1.443   0.737   3.093  0.00  0.00    -0.221 NA
ATOM     20  C   LIG    1        1.153   0.117   1.923  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        1.810  -1.016   1.445  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        2.835  -1.532   2.251  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        3.152  -0.917   3.460  0.00  0.00    +0.067 A 
BRANCH  18  25
ATOM     24  C   LIG    1        1.969   1.897   5.378  0.00  0.00    +0.279 C 
ATOM     25  O   LIG    1        2.784   0.780   5.039  0.00  0.00    -0.480 OA
ENDBRANCH  18  25
ENDBRANCH  17  21
BRANCH  17  26
ATOM     26  N   LIG    1        2.328  -1.270  -1.046  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1        3.435  -2.205  -1.256  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1        2.843   0.100  -0.987  0.00  0.00    +0.105 C 
ENDBRANCH  17  26
ENDBRANCH   1  17
TORSDOF 6