REMARK  Name = BDB024075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.155  -0.217  -0.656  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -1.262  -0.272   0.394  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1       -1.634  -0.487   1.312  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.867   0.005  -1.827  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -5.889   0.233  -0.913  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -4.510   0.318  -1.131  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -3.601  -0.392  -0.320  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -4.102  -1.207   0.706  0.00  0.00    +0.053 A 
ATOM      9 CL   LIG    1       -3.107  -2.176   1.735  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -5.484  -1.289   0.922  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -6.374  -0.571   0.119  0.00  0.00    +0.020 A 
BRANCH   5  13
ATOM     12  N   LIG    1       -7.546   1.560  -2.405  0.00  0.00    -0.191 NA
ATOM     13  C   LIG    1       -6.800   0.967  -1.743  0.00  0.00    +0.099 C 
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  C   LIG    1        0.137  -0.107   0.322  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        0.858   0.180  -0.829  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1        2.208   0.335  -0.866  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1        2.906   0.207   0.291  0.00  0.00    +0.073 A 
ATOM     18  C   LIG    1        2.257  -0.089   1.488  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        0.868  -0.244   1.501  0.00  0.00    +0.027 A 
BRANCH  17  20
ATOM     20  C   LIG    1        4.365   0.388   0.179  0.00  0.00    +0.018 A 
ATOM     21  C   LIG    1        5.161   0.824   1.240  0.00  0.00    +0.120 A 
ATOM     22  N   LIG    1        6.507   0.995   1.195  0.00  0.00    -0.263 NA
ATOM     23  C   LIG    1        7.109   0.733   0.017  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        6.429   0.310  -1.110  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.047   0.139  -1.022  0.00  0.00    +0.013 A 
ENDBRANCH  17  20
ENDBRANCH   2  14
TORSDOF 4