REMARK  Name = BDB001794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.737   2.119  -1.989  0.00  0.00    -0.251 N 
ATOM      2  H   LIG    1        0.792   2.888  -2.647  0.00  0.00    +0.158 HD
ATOM      3  C   LIG    1        1.780   1.231  -2.037  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        2.610   1.278  -2.942  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.970   0.223  -0.977  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.063  -1.126  -1.335  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        2.238  -2.093  -0.343  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1        2.336  -1.705   0.995  0.00  0.00    +0.041 A 
ATOM      9 CL   LIG    1        2.539  -2.899   2.215  0.00  0.00    -0.084 Cl
ATOM     10  C   LIG    1        2.272  -0.357   1.350  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        2.097   0.614   0.362  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  15
ATOM     12  C   LIG    1       -2.129   1.386  -0.049  0.00  0.00    +0.240 A 
ATOM     13  N   LIG    1       -0.909   1.007  -0.547  0.00  0.00    -0.304 N 
ATOM     14  H   LIG    1       -0.486   0.106  -0.394  0.00  0.00    +0.170 HD
ATOM     15  C   LIG    1       -0.439   2.053  -1.288  0.00  0.00    +0.221 A 
ATOM     16  N   LIG    1       -1.346   3.005  -1.279  0.00  0.00    -0.113 NA
ATOM     17  N   LIG    1       -2.398   2.598  -0.490  0.00  0.00    -0.121 NA
BRANCH  12  18
ATOM     18  C   LIG    1       -2.983   0.600   0.804  0.00  0.00    +0.377 C 
ATOM     19  O   LIG    1       -4.075   0.921   1.252  0.00  0.00    -0.241 OA
BRANCH  18  21
ATOM     20  C   LIG    1       -3.130  -1.467   1.901  0.00  0.00    +0.280 C 
ATOM     21  O   LIG    1       -2.371  -0.601   1.054  0.00  0.00    -0.462 OA
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH   1  15
TORSDOF 4