REMARK  Name = BDB020020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.043   1.232  -0.427  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -1.012   0.396  -0.822  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.142  -0.903  -0.309  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.192  -1.393   0.594  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        0.875  -0.583   1.008  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        0.973   0.723   0.497  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        2.828   4.876  -2.451  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1        1.513   4.366  -1.942  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1        0.457   5.209  -1.995  0.00  0.00    -0.260 NA
ATOM     10  C   LIG    1       -0.725   4.745  -1.541  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -0.909   3.471  -1.028  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        0.181   2.597  -0.969  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        1.413   3.070  -1.442  0.00  0.00    +0.031 A 
ENDBRANCH   1  12
BRANCH   3  14
ATOM     14  C   LIG    1       -2.288  -1.734  -0.775  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1       -2.718  -2.717   0.090  0.00  0.00    -0.304 N 
ATOM     16  H   LIG    1       -2.490  -2.606   1.070  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -2.814  -1.508  -1.857  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -3.978  -3.409  -0.151  0.00  0.00    +0.180 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.134  -2.786   0.611  0.00  0.00    +0.146 A 
ATOM     20  N   LIG    1       -6.367  -2.857   0.067  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1       -7.376  -2.311   0.781  0.00  0.00    +0.134 A 
ATOM     22  C   LIG    1       -7.207  -1.723   2.013  0.00  0.00    +0.077 A 
ATOM     23 CL   LIG    1       -8.510  -1.046   2.888  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1       -5.919  -1.722   2.495  0.00  0.00    +0.134 A 
ATOM     25  N   LIG    1       -4.867  -2.250   1.829  0.00  0.00    -0.237 NA
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  26
ATOM     26  C   LIG    1        1.919  -1.110   1.971  0.00  0.00    +0.159 C 
BRANCH  26  27
ATOM     27  N   LIG    1        3.199  -1.283   1.317  0.00  0.00    -0.313 N 
ATOM     28  C   LIG    1        4.266  -0.376   1.356  0.00  0.00    +0.204 A 
ATOM     29  N   LIG    1        4.386   0.733   1.993  0.00  0.00    -0.268 NA
ATOM     30  H   LIG    1        3.551   0.912   2.546  0.00  0.00    +0.190 HD
ATOM     31  N   LIG    1        5.224  -0.940   0.510  0.00  0.00    -0.320 N 
ATOM     32  C   LIG    1        6.457  -0.278   0.162  0.00  0.00    +0.152 C 
ATOM     33  C   LIG    1        4.735  -2.107  -0.052  0.00  0.00    +0.106 A 
ATOM     34  C   LIG    1        3.508  -2.321   0.441  0.00  0.00    +0.107 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6