REMARK  Name = BDB001712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.224  -1.123  -0.405  0.00  0.00    +0.107 C 
ATOM      2  C   LIG    1        0.006  -2.570  -0.083  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1        1.104  -3.108  -0.182  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -1.169  -3.385   0.257  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.442  -2.937  -0.075  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -3.560  -3.736   0.196  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.394  -4.979   0.808  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.117  -5.429   1.141  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.613  -1.630  -0.725  0.00  0.00    +0.210 C 
ATOM     10  O   LIG    1       -3.692  -1.289  -1.205  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1       -1.002  -4.637   0.862  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.452  -0.680  -0.741  0.00  0.00    +0.105 C 
ENDROOT
BRANCH   1  15
ATOM     13  O   LIG    1        1.925  -0.944   1.471  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        1.909  -0.280   0.440  0.00  0.00    +0.248 C 
ATOM     15  N   LIG    1        0.861  -0.263  -0.464  0.00  0.00    -0.277 N 
ATOM     16  H   LIG    1        0.695   0.619  -0.939  0.00  0.00    +0.155 HD
BRANCH  14  17
ATOM     17  C   LIG    1        2.998   0.702   0.171  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        3.291   1.141  -1.128  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        4.313   2.070  -1.337  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.048   2.556  -0.256  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.771   2.110   1.036  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.751   1.181   1.250  0.00  0.00    +0.013 A 
ENDBRANCH  14  17
ENDBRANCH   1  15
BRANCH  12  23
ATOM     23  N   LIG    1       -1.786   0.616  -1.156  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -2.736   0.606  -1.552  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -1.630   1.801  -0.392  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -1.919   3.024  -1.017  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -1.756   4.236  -0.341  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1       -1.297   4.237   0.972  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -1.091   5.726   1.807  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -1.005   3.036   1.612  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -1.171   1.824   0.932  0.00  0.00    +0.024 A 
ENDBRANCH  23  25
ENDBRANCH  12  23
TORSDOF 4