REMARK  Name = BDB012156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.821   1.033   3.844  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.534   0.085   3.112  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.224  -0.171   2.719  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1        0.180  -1.323   1.908  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1        1.651  -1.670   2.113  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        2.573  -0.484   1.785  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        1.908   0.875   2.060  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1        0.821   0.768   3.120  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        3.045  -0.541   0.373  0.00  0.00    +0.221 A 
ATOM     10  O   LIG    1        4.316  -0.101   0.120  0.00  0.00    -0.420 OA
ATOM     11  C   LIG    1        4.406  -0.277  -1.239  0.00  0.00    +0.248 A 
ATOM     12  N   LIG    1        3.299  -0.775  -1.755  0.00  0.00    -0.107 NA
ATOM     13  N   LIG    1        2.415  -0.943  -0.710  0.00  0.00    -0.112 NA
BRANCH  11  14
ATOM     14  C   LIG    1        5.656   0.099  -1.886  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        5.788  -0.045  -3.277  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        6.975   0.311  -3.926  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        8.043   0.814  -3.188  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        9.503   1.252  -3.983  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        7.933   0.964  -1.808  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        6.745   0.608  -1.160  0.00  0.00    +0.014 A 
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   2  21
ATOM     21  C   LIG    1       -2.602  -0.871   2.596  0.00  0.00    +0.096 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.034  -0.423   2.908  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.473   0.838   2.161  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.580   0.680   0.659  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1       -4.567   1.858  -0.043  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -4.465   2.744   0.431  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -4.672   1.923  -1.409  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1       -4.646   2.987  -2.016  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -4.812   0.629  -2.097  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1       -4.826  -0.521  -1.303  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1       -4.954  -1.762  -1.931  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -5.066  -1.847  -3.322  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -5.051  -0.689  -4.100  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -4.924   0.557  -3.489  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1       -4.713  -0.477   0.098  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 6