REMARK  Name = BDB062876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.007  -2.547  -1.830  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.230  -1.904  -0.818  0.00  0.00    +0.246 C 
ATOM      3  N   LIG    1       -0.713  -1.203  -0.107  0.00  0.00    -0.295 N 
ATOM      4  H   LIG    1       -0.488  -0.923   0.840  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.583  -1.902  -0.230  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        2.297  -0.745   0.057  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.065   0.673  -0.187  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        3.119   1.416   0.377  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        4.077   0.464   0.967  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1        5.110   0.733   1.542  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        3.204   2.795   0.327  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        2.180   3.470  -0.335  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        1.128   2.755  -0.935  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        1.072   1.354  -0.872  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.531  -0.885   0.721  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        4.096  -2.101   1.069  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        3.389  -3.252   0.732  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.143  -3.155   0.089  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  CA  LIG    1       -2.126  -1.273  -0.461  0.00  0.00    +0.213 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.774   0.067  -0.155  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -2.980   0.987  -1.198  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -3.518   2.254  -0.944  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1       -3.720   3.323  -2.285  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1       -3.857   2.617   0.363  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1       -4.521   4.162   0.754  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1       -3.650   1.713   1.408  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -3.106   0.450   1.153  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
BRANCH  19  28
ATOM     28  C   LIG    1       -2.784  -2.443   0.284  0.00  0.00    +0.330 C 
ATOM     29  O   LIG    1       -2.416  -2.926   1.347  0.00  0.00    -0.249 OA
BRANCH  28  30
ATOM     30  OXT LIG    1       -3.903  -2.899  -0.318  0.00  0.00    -0.479 OA
ATOM     31  HXT LIG    1       -4.208  -3.635   0.253  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  19  28
ENDBRANCH   3  19
TORSDOF 5