REMARK  Name = BDB012341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.858  -0.525   1.208  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.265  -1.219   0.748  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1        1.040  -1.463   1.865  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.327  -0.921   2.941  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -0.820  -0.361   2.567  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.047   1.160   0.351  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -2.989   0.646   1.105  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -1.950   0.002   0.437  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1       -1.938  -0.134  -0.917  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -2.975   0.371  -1.617  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -4.043   1.021  -1.035  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -6.143   2.332   0.382  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -5.192   1.859   0.977  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -5.094   1.931   2.314  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -5.903   2.408   2.593  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        0.418  -1.514  -0.550  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.679  -2.049  -0.965  0.00  0.00    +0.267 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.728  -0.970  -1.141  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        4.086  -1.181  -0.851  0.00  0.00    +0.049 A 
ATOM     20 CL   LIG    1        4.668  -2.689  -0.240  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        5.027  -0.167  -1.053  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1        4.622   1.064  -1.558  0.00  0.00    +0.042 A 
ATOM     23 CL   LIG    1        5.782   2.311  -1.806  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        3.286   1.292  -1.870  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        2.347   0.279  -1.669  0.00  0.00    +0.010 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6