REMARK  Name = BDB007185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.545  -1.490   0.237  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -2.880  -1.762  -1.099  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -2.062  -1.251  -2.116  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -0.909  -0.512  -1.808  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1       -0.014   0.040  -2.878  0.00  0.00    +0.132 C 
ATOM      6  C   LIG    1        1.460   0.068  -2.486  0.00  0.00    +0.225 C 
ATOM      7  N   LIG    1        1.752   0.225  -1.119  0.00  0.00    -0.260 N 
ATOM      8  C   LIG    1        0.660   0.593  -0.188  0.00  0.00    +0.142 C 
ATOM      9  O   LIG    1        2.301   0.022  -3.387  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -0.573  -0.253  -0.478  0.00  0.00    -0.015 A 
ATOM     11  C   LIG    1       -1.386  -0.765   0.539  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        0.350   2.100  -0.148  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1       -0.568   2.595   0.800  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -0.869   3.958   0.877  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.247   4.853   0.014  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.612   6.531   0.110  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        0.674   4.396  -0.922  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        0.973   3.031  -1.000  0.00  0.00    +0.007 A 
ENDBRANCH   8  12
BRANCH   7  19
ATOM     19  C   LIG    1        3.105   0.150  -0.618  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        4.090  -0.587  -1.289  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        5.399  -0.675  -0.798  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        5.764  -0.032   0.381  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        4.802   0.700   1.067  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        3.490   0.787   0.574  0.00  0.00    +0.027 A 
BRANCH  22  25
ATOM     25  O   LIG    1        7.069  -0.197   0.748  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1        7.496   0.471   1.929  0.00  0.00    +0.277 C 
ENDBRANCH  22  25
ENDBRANCH   7  19
BRANCH   2  27
ATOM     27  O   LIG    1       -3.988  -2.533  -1.328  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -4.210  -3.000  -2.653  0.00  0.00    +0.277 C 
ENDBRANCH   2  27
BRANCH   1  29
ATOM     29  O   LIG    1       -3.231  -1.920   1.345  0.00  0.00    -0.488 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -4.654  -1.795   1.268  0.00  0.00    +0.229 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -4.953  -2.767   3.591  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -5.199  -1.573   2.679  0.00  0.00    +0.038 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 7