REMARK  Name = BDB028491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.383   2.161  -0.581  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1  14
ATOM      2  O   LIG    1       -2.168   1.099   1.194  0.00  0.00    -0.252 OA
ATOM      3  C   LIG    1       -2.511   1.086   0.014  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1       -3.708   0.554  -0.493  0.00  0.00    -0.255 N 
ATOM      5  C   LIG    1       -4.501  -0.417   0.226  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -5.760  -0.820  -0.275  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -6.517  -1.798   0.399  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -6.051  -2.373   1.575  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -4.818  -1.986   2.080  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -6.323  -0.264  -1.554  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -5.714   1.085  -1.869  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -4.052  -1.025   1.409  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -4.202   0.973  -1.811  0.00  0.00    +0.115 C 
ATOM     14  N   LIG    1       -1.694   1.646  -0.951  0.00  0.00    -0.296 N 
ATOM     15  H   LIG    1       -1.684   1.134  -1.823  0.00  0.00    +0.150 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1        0.639   1.028  -0.420  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1        0.829   0.394  -1.699  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        1.699  -0.051  -1.618  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        1.997   1.569   0.073  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.050   0.527   0.016  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        4.382   1.164   0.114  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        5.524   0.177   0.216  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        5.302  -1.141   0.652  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        6.380  -2.028   0.769  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.676  -1.603   0.479  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.904  -0.292   0.067  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.898  -1.613   0.929  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        6.834   0.595  -0.062  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        2.908  -0.453   1.110  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5