REMARK  Name = BDB028750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.854  -0.695  -0.326  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -0.790   0.736   0.121  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        0.454   1.474  -0.467  0.00  0.00    +0.135 C 
ATOM      4  N   LIG    1        1.662   0.642  -0.443  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        2.839   1.135   0.115  0.00  0.00    +0.220 C 
ATOM      6  O   LIG    1        2.877   2.272   0.601  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        1.515  -0.711  -0.993  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1        0.072  -1.045  -1.416  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -2.910  -1.560   0.677  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -2.124  -1.275  -0.472  0.00  0.00    +0.143 A 
ATOM     11  N   LIG    1       -2.577  -1.519  -1.728  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1       -3.830  -2.016  -1.859  0.00  0.00    +0.133 A 
ATOM     13  C   LIG    1       -4.661  -2.311  -0.793  0.00  0.00    +0.061 A 
ATOM     14 CL   LIG    1       -6.230  -2.957  -1.053  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1       -4.186  -2.099   0.493  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     16  N   LIG    1       -2.368  -1.536   1.979  0.00  0.00    -0.355 N 
ATOM     17  H   LIG    1       -1.490  -1.028   2.019  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -3.029  -1.298   2.709  0.00  0.00    +0.142 HD
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.047   1.566  -0.134  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -2.536   1.785  -1.434  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -3.687   2.548  -1.646  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -4.357   3.105  -0.561  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -5.776   4.042  -0.820  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -3.886   2.906   0.735  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -2.736   2.141   0.947  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   5  26
ATOM     26  C   LIG    1        4.075   0.188   0.110  0.00  0.00    +0.089 C 
ATOM     27  C   LIG    1        4.253  -0.707   1.375  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1        5.333   0.284   1.864  0.00  0.00    +0.016 C 
ATOM     29  C   LIG    1        5.460   0.807   0.428  0.00  0.00    +0.014 C 
BRANCH  27  30
ATOM     30  C   LIG    1        4.688  -2.173   1.129  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1        5.482  -2.601   0.301  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        4.066  -3.058   1.943  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1        4.439  -3.926   1.681  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH   5  26
TORSDOF 6