REMARK  Name = BDB009598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.816  -1.675   0.199  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1       -2.171  -0.199   0.051  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1       -3.346   0.167   0.130  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -1.140   0.674  -0.278  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        0.299   0.332  -0.151  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1        0.608  -1.176   0.060  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -0.481  -1.821   0.920  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        1.106   0.861  -1.337  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        0.739   0.551  -2.658  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        1.494   1.023  -3.734  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        2.622   1.805  -3.498  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        3.551   2.386  -4.824  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        3.002   2.120  -2.196  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.247   1.650  -1.118  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1        1.997  -1.409   0.647  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1        3.008  -1.950  -0.164  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.293  -2.149   0.344  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        5.518  -2.809  -0.668  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        4.591  -1.814   1.661  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.599  -1.273   2.476  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.311  -1.069   1.973  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1       -2.912  -2.434   0.962  0.00  0.00    +0.108 C 
BRANCH  22  26
ATOM     23  N   LIG    1       -4.989  -1.984  -0.213  0.00  0.00    -0.329 N 
ATOM     24  H   LIG    1       -4.786  -0.994  -0.068  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.651  -2.212  -0.942  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -4.001  -2.892   0.018  0.00  0.00    +0.211 C 
ATOM     27  O   LIG    1       -3.994  -3.988  -0.529  0.00  0.00    -0.276 OA
ENDBRANCH  22  26
ENDBRANCH   1  22
BRANCH   4  28
ATOM     28  C   LIG    1       -1.490   2.096  -0.408  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.213   2.849   0.862  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -2.084   2.682   2.082  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -2.132   3.963   1.298  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 6