REMARK  Name = BDB014261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.365   1.294   0.915  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        2.449   0.753   0.009  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        2.773   0.610  -1.334  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        1.653   0.043  -1.988  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.663  -0.151  -1.041  0.00  0.00    +0.056 A 
ATOM      6  N   LIG    1        3.971   0.973  -1.850  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        4.841   1.493  -0.959  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1        1.166   0.284   0.165  0.00  0.00    -0.353 N 
ATOM      9  H   LIG    1        0.660   0.274   1.045  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        4.603   1.673   0.395  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1        1.936   1.118   2.830  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1        3.002   1.439   2.337  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1        3.990   1.976   3.072  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        3.622   2.016   3.980  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1       -0.710  -0.721  -1.178  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -1.421  -0.405   0.020  0.00  0.00    -0.486 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.714  -0.838   0.113  0.00  0.00    +0.124 A 
ATOM     18  C   LIG    1       -3.356  -0.496   1.307  0.00  0.00    +0.065 A 
ATOM     19  C   LIG    1       -4.679  -0.878   1.529  0.00  0.00    +0.046 A 
ATOM     20 CL   LIG    1       -5.454  -0.449   3.004  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -5.376  -1.602   0.569  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1       -4.735  -1.941  -0.619  0.00  0.00    +0.046 A 
ATOM     23 CL   LIG    1       -5.586  -2.838  -1.817  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -3.409  -1.565  -0.854  0.00  0.00    +0.065 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 5