REMARK  Name = BDB015784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.226  -1.651  -0.861  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -0.289  -0.867  -0.304  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.914  -1.426  -0.090  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        1.180  -2.741  -0.419  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.144  -3.465  -0.970  0.00  0.00    +0.124 A 
ATOM      6  N   LIG    1       -1.060  -2.936  -1.193  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.956  -0.549   0.503  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        1.963   0.757   0.171  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        2.901   1.648   0.672  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        2.829   3.037   0.245  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        3.899   1.259   1.558  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        4.763   1.995   2.025  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        3.882  -0.174   1.952  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        2.962  -1.008   1.450  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        0.339  -4.802  -1.337  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        1.056  -4.870  -2.054  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        0.631  -5.354  -0.537  0.00  0.00    +0.144 HD
ENDBRANCH   5  15
BRANCH   1  18
ATOM     18  O   LIG    1       -2.492  -1.137  -1.123  0.00  0.00    -0.422 OA
BRANCH  18  21
ATOM     19  C   LIG    1       -3.740  -0.509   1.356  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -3.312   0.543   0.373  0.00  0.00    -0.007 A 
ATOM     21  C   LIG    1       -2.674   0.196  -0.831  0.00  0.00    +0.153 A 
ATOM     22  C   LIG    1       -2.294   1.188  -1.746  0.00  0.00    +0.084 A 
ATOM     23 CL   LIG    1       -1.567   0.798  -3.263  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1       -2.507   2.534  -1.442  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -3.109   2.889  -0.235  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.509   1.900   0.667  0.00  0.00    +0.007 A 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4