REMARK  Name = BDB028748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.956   0.305  -1.134  0.00  0.00    +0.224 C 
ATOM      2  N   LIG    1        1.580   0.110  -1.184  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        0.748   1.137  -0.533  0.00  0.00    +0.135 C 
ATOM      4  C   LIG    1       -0.730   1.128  -1.012  0.00  0.00    +0.122 C 
ATOM      5  N   LIG    1       -1.339  -0.234  -1.014  0.00  0.00    -0.304 N 
ATOM      6  C   LIG    1       -0.485  -1.228  -1.700  0.00  0.00    +0.126 C 
ATOM      7  C   LIG    1        0.975  -1.232  -1.208  0.00  0.00    +0.127 C 
ATOM      8  O   LIG    1        3.461   1.333  -0.673  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -1.666   2.167  -0.397  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -2.902   2.422  -1.023  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.797   3.357  -0.498  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.469   4.048   0.663  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -4.568   5.200   1.315  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -2.256   3.809   1.304  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.361   2.871   0.779  0.00  0.00    +0.007 A 
ENDBRANCH   4   9
BRANCH   5  16
ATOM     16  C   LIG    1       -1.734  -0.716   0.259  0.00  0.00    +0.143 A 
ATOM     17  C   LIG    1       -2.967  -1.419   0.341  0.00  0.00    +0.066 A 
ATOM     18  C   LIG    1       -3.388  -1.884   1.586  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -2.567  -1.702   2.690  0.00  0.00    +0.061 A 
ATOM     20 CL   LIG    1       -3.040  -2.276   4.237  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1       -1.362  -1.042   2.516  0.00  0.00    +0.133 A 
ATOM     22  N   LIG    1       -0.929  -0.550   1.330  0.00  0.00    -0.237 NA
BRANCH  17  23
ATOM     23  N   LIG    1       -3.849  -1.471  -0.760  0.00  0.00    -0.355 N 
ATOM     24  H   LIG    1       -3.353  -1.236  -1.619  0.00  0.00    +0.142 HD
ATOM     25  H   LIG    1       -4.410  -2.312  -0.814  0.00  0.00    +0.142 HD
ENDBRANCH  17  23
ENDBRANCH   5  16
BRANCH   1  26
ATOM     26  C   LIG    1        3.862  -0.770  -1.676  0.00  0.00    +0.191 C 
BRANCH  26  30
ATOM     27  C   LIG    1        5.601  -2.095   1.403  0.00  0.00    +0.128 C 
ATOM     28  N   LIG    1        5.205  -1.303   0.266  0.00  0.00    -0.318 N 
ATOM     29  H   LIG    1        5.348  -0.298   0.318  0.00  0.00    +0.148 HD
ATOM     30  C   LIG    1        4.254  -1.764  -0.618  0.00  0.00    +0.222 C 
ATOM     31  O   LIG    1        3.760  -2.887  -0.567  0.00  0.00    -0.275 OA
ENDBRANCH  26  30
ENDBRANCH   1  26
TORSDOF 5