REMARK  Name = BDB031113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.051  -2.873  -0.037  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -0.962  -2.115   0.440  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -2.221  -2.562   0.282  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -2.507  -3.772  -0.335  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.456  -4.550  -0.813  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.152  -4.095  -0.662  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1        2.961   1.499   0.179  0.00  0.00    +0.144 A 
ATOM      8  C   LIG    1        1.530   1.370  -0.126  0.00  0.00    +0.099 A 
ATOM      9 CL   LIG    1        0.568   2.766  -0.462  0.00  0.00    -0.078 Cl
ATOM     10  C   LIG    1        0.957   0.156  -0.146  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        1.725  -0.976   0.127  0.00  0.00    -0.296 N 
ATOM     12  C   LIG    1        3.090  -0.901   0.396  0.00  0.00    +0.142 A 
ATOM     13  N   LIG    1        3.619  -2.090   0.575  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1        2.578  -2.967   0.439  0.00  0.00    +0.141 A 
ATOM     15  C   LIG    1        1.383  -2.321   0.168  0.00  0.00    +0.092 A 
ATOM     16  C   LIG    1        3.694   0.389   0.425  0.00  0.00    +0.094 A 
BRANCH   7  17
ATOM     17  O   LIG    1        3.417   2.797   0.175  0.00  0.00    -0.488 OA
BRANCH  17  19
ATOM     18  C   LIG    1        5.643   2.966  -0.767  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        4.782   3.093   0.485  0.00  0.00    +0.167 C 
ATOM     20  C   LIG    1        4.813   4.531   0.998  0.00  0.00    +0.051 C 
ENDBRANCH  17  19
ENDBRANCH   7  17
ENDBRANCH   1  15
BRANCH   3  21
ATOM     21  N   LIG    1       -3.207  -1.722   0.783  0.00  0.00    -0.322 N 
ATOM     22  H   LIG    1       -2.706  -0.943   1.205  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.228  -1.252  -0.184  0.00  0.00    +0.119 C 
ATOM     24  C   LIG    1       -3.635  -0.402  -1.331  0.00  0.00    +0.189 C 
ATOM     25  F   LIG    1       -4.236  -0.773  -2.503  0.00  0.00    -0.243 F 
ATOM     26  C   LIG    1       -3.850   1.100  -1.161  0.00  0.00    +0.054 C 
ATOM     27  C   LIG    1       -3.736   1.505   0.300  0.00  0.00    +0.084 C 
ATOM     28  N   LIG    1       -4.725   0.842   1.152  0.00  0.00    -0.314 NA
ATOM     29  H   LIG    1       -4.325   0.662   2.074  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1       -5.264  -0.406   0.588  0.00  0.00    +0.106 C 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 5