REMARK  Name = BDB027732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.234   0.214   0.527  0.00  0.00    +0.164 A 
ATOM      2  N   LIG    1       -2.656  -0.809   1.286  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1       -1.820  -1.849   1.427  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -0.564  -1.904   0.823  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.249  -3.047   1.010  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -0.218  -4.082   1.798  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -1.419  -4.060   2.401  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.216  -0.781   0.052  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1       -2.175  -2.949   2.195  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1       -1.058   0.252  -0.114  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11 CL   LIG    1       -1.173   3.226   0.628  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -2.783   2.678   0.324  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -3.167   1.328   0.328  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -4.534   1.049   0.127  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1       -5.429   2.086  -0.080  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -5.071   3.383  -0.101  0.00  0.00    -0.262 NA
ATOM     17  C   LIG    1       -3.759   3.647   0.107  0.00  0.00    +0.131 A 
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  N   LIG    1        1.043  -0.755  -0.600  0.00  0.00    -0.328 N 
ATOM     19  H   LIG    1        1.744  -0.922   0.128  0.00  0.00    +0.147 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.345   0.506  -1.277  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.566   0.355  -2.195  0.00  0.00    +0.026 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.792  -0.326  -1.584  0.00  0.00    +0.079 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.215   0.276  -0.300  0.00  0.00    +0.149 A 
ATOM     24  N   LIG    1        5.156   1.257  -0.178  0.00  0.00    -0.243 N 
ATOM     25  H   LIG    1        5.709   1.729  -0.882  0.00  0.00    +0.192 HD
ATOM     26  N   LIG    1        5.303   1.586   1.111  0.00  0.00    -0.047 NA
ATOM     27  N   LIG    1        4.458   0.804   1.768  0.00  0.00    -0.023 NA
ATOM     28  N   LIG    1        3.775  -0.019   0.905  0.00  0.00    -0.114 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 6