REMARK  Name = BDB002057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.552  -0.354  -0.219  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        0.854  -0.746  -1.456  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.220  -1.813  -1.181  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -1.188  -1.409  -0.161  0.00  0.00    -0.294 N 
ATOM      5  C   LIG    1       -2.390  -2.105  -0.088  0.00  0.00    +0.252 C 
ATOM      6  O   LIG    1       -2.612  -3.090  -0.789  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -0.710  -0.434   0.829  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1        0.815  -0.495   1.047  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        5.473   1.262  -0.310  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        4.962   0.713   0.860  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        3.662   0.181   0.882  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        2.833   0.176  -0.252  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        3.377   0.734  -1.417  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        4.673   1.269  -1.448  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     15  C   LIG    1        7.563   1.824   0.667  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        6.713   1.812  -0.472  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -3.384  -1.647   0.857  0.00  0.00    +0.106 A 
ATOM     18  C   LIG    1       -3.979  -2.439   1.814  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -3.857  -3.860   2.190  0.00  0.00    +0.090 C 
ATOM     20  O   LIG    1       -4.846  -1.691   2.540  0.00  0.00    -0.359 OA
ATOM     21  N   LIG    1       -4.860  -0.401   2.057  0.00  0.00    -0.077 NA
ATOM     22  C   LIG    1       -4.020  -0.378   1.008  0.00  0.00    +0.126 A 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.865   0.833   0.203  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -3.857   2.093   0.819  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -3.687   3.253   0.061  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.532   3.167  -1.321  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.553   1.922  -1.947  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.723   0.760  -1.191  0.00  0.00    +0.010 A 
ENDBRANCH  22  23
ENDBRANCH   5  17
TORSDOF 4