REMARK  Name = BDB052391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.659  -0.645  -0.511  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        0.397   0.030  -0.034  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1        1.600  -0.379  -0.469  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        2.776   0.297   0.043  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1        2.898   1.445   0.769  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1        1.843   2.317   1.228  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1        4.184   1.760   1.053  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1        4.910   0.767   0.493  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1        4.063  -0.164  -0.155  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.340  -1.432  -0.887  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.185  -1.783  -1.861  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1        1.808  -1.426  -1.355  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        0.659  -2.028  -1.797  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -0.569  -1.661  -1.386  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        6.376   0.729   0.600  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        7.079  -0.158   0.128  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        6.913   1.783   1.286  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        7.907   1.828   1.442  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        6.282   2.469   1.683  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1       -1.909  -0.199  -0.066  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1       -1.712   0.396   0.733  0.00  0.00    +0.155 HD
BRANCH  20  23
ATOM     22  C   LIG    1       -4.329  -0.347   0.214  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1       -3.065  -0.987   0.178  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1       -2.982  -2.347   0.511  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -4.126  -3.067   0.857  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.364  -2.431   0.890  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.466  -1.075   0.572  0.00  0.00    +0.025 A 
BRANCH  22  30
ATOM     28  C   LIG    1       -5.094   3.236  -0.707  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -5.443   1.872  -0.165  0.00  0.00    +0.214 C 
ATOM     30  N   LIG    1       -4.362   1.016  -0.161  0.00  0.00    -0.284 N 
ATOM     31  H   LIG    1       -3.477   1.363  -0.512  0.00  0.00    +0.155 HD
ATOM     32  O   LIG    1       -6.574   1.633   0.245  0.00  0.00    -0.276 OA
ENDBRANCH  22  30
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4