REMARK  Name = BDB028407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.285  -1.718  -0.762  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -1.732  -3.019  -0.878  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -3.028  -3.544  -0.508  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -0.816  -3.866  -1.385  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1        0.264  -3.104  -1.554  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        0.034  -1.760  -1.199  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1        0.945  -0.636  -1.200  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.046  -0.645  -0.332  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.886   0.470  -0.249  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.635   1.577  -1.057  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.503   2.760  -0.946  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        4.505   2.687  -0.011  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        5.111   3.496   0.088  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        4.771   1.628   0.799  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        3.325   3.748  -1.650  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        1.556   1.579  -1.950  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        4.027   0.564   0.697  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        0.708   0.473  -2.018  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        4.357  -0.610   1.616  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.577  -0.517   2.849  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        3.743   0.395   3.277  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        2.571  -0.556   2.659  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  28
ATOM     23  C   LIG    1       -4.641   2.684   0.969  0.00  0.00    +0.045 C 
ATOM     24  C   LIG    1       -3.744   1.543   0.567  0.00  0.00    -0.031 A 
ATOM     25  C   LIG    1       -2.661   1.123   1.365  0.00  0.00    +0.062 A 
ATOM     26 CL   LIG    1       -2.349   1.945   2.866  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1       -1.838   0.053   0.958  0.00  0.00    +0.079 A 
ATOM     28  C   LIG    1       -2.103  -0.606  -0.261  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1       -3.177  -0.175  -1.053  0.00  0.00    +0.011 A 
ATOM     30  C   LIG    1       -3.988   0.883  -0.644  0.00  0.00    +0.005 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -0.733  -0.355   1.782  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1        0.179  -0.673   2.428  0.00  0.00    -0.191 NA
ENDBRANCH  27  31
ENDBRANCH   1  28
TORSDOF 5