REMARK  Name = BDB013296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.762  -0.283  -0.093  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.354   0.663  -0.305  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.762   0.055  -0.035  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.762  -0.733   1.279  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -0.657  -1.787   1.309  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.716  -1.229   0.935  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        1.743  -1.687   1.437  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.200   1.970   0.485  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        0.279   2.015   1.805  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        0.375   3.229   2.493  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.016   4.411   1.872  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        0.101   5.903   2.720  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -0.505   4.391   0.570  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.601   3.178  -0.117  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.363  -0.762  -1.179  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -1.598  -1.555  -2.047  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -2.208  -2.283  -3.071  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -1.242  -3.241  -4.125  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -3.588  -2.243  -3.246  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.365  -1.471  -2.387  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.758  -0.740  -1.362  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.102  -0.022  -0.699  0.00  0.00    +0.102 C 
BRANCH  22  24
ATOM     23  C   LIG    1        2.065   1.764  -2.615  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        2.089   0.295  -2.215  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1        2.997   0.921   0.139  0.00  0.00    +0.181 C 
BRANCH  25  26
ATOM     26  O   LIG    1        4.349   0.950  -0.334  0.00  0.00    -0.381 OA
ATOM     27  C   LIG    1        5.133  -0.121   0.178  0.00  0.00    +0.194 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  28
ATOM     28  C   LIG    1       -0.596  -2.488   2.678  0.00  0.00    +0.133 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.747  -3.432   2.891  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -2.561  -3.807   2.066  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -1.806  -3.873   4.162  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -2.567  -4.491   4.168  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 9