REMARK  Name = BDB012406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.920   0.078   0.861  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.261  -0.375   1.999  0.00  0.00    +0.217 A 
ATOM      3  C   LIG    1       -1.001   0.164   1.948  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.042   0.927   0.757  0.00  0.00    +0.072 A 
ATOM      5  N   LIG    1        0.139   0.908   0.122  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.096  -0.028  -1.021  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        2.777   0.285  -0.697  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.262  -0.237   0.482  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        2.987  -1.047   1.315  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        4.252  -1.348   0.948  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.850  -0.867  -0.200  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        4.073   0.491  -3.335  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        4.665   0.509  -2.272  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        5.894   1.038  -2.098  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.170   1.146  -1.169  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        0.806  -1.177   2.917  0.00  0.00    -0.492 OA
ATOM     17  H   LIG    1        1.724  -1.381   2.626  0.00  0.00    +0.294 HD
ENDBRANCH   2  16
BRANCH   4  18
ATOM     18  C   LIG    1       -2.178   1.735   0.216  0.00  0.00    +0.094 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.242   0.755  -0.224  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1       -3.231   0.129  -1.483  0.00  0.00    +0.045 A 
ATOM     21 CL   LIG    1       -2.009   0.449  -2.662  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -4.236  -0.780  -1.834  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -5.264  -1.075  -0.940  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.293  -0.461   0.307  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.293   0.447   0.663  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6