REMARK  Name = BDB018662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -7.274  -0.704   0.177  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -6.467  -1.226  -0.965  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -5.014  -0.939  -0.578  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -4.057  -1.921  -1.239  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -4.410  -3.003  -1.702  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -2.728  -1.589  -1.200  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -2.083  -2.305  -1.510  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -2.246  -0.318  -0.871  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -3.145   0.738  -0.701  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -2.654   2.011  -0.404  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.278   2.216  -0.267  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -0.364   1.163  -0.440  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1       -0.871  -0.110  -0.752  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -4.614   0.502  -0.934  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -5.056  -1.184   0.938  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -6.402  -0.622   1.377  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        1.085   1.387  -0.302  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        1.860   0.601   0.568  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        3.237   0.805   0.711  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1        3.862   1.799  -0.039  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        3.111   2.591  -0.909  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.736   2.388  -1.037  0.00  0.00    +0.009 A 
BRANCH  19  23
ATOM     23  O   LIG    1        3.849  -0.048   1.589  0.00  0.00    -0.487 OA
BRANCH  23  24
ATOM     24  C   LIG    1        5.190   0.251   2.000  0.00  0.00    +0.266 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.250  -0.329   1.086  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        7.567   0.161   1.085  0.00  0.00    +0.047 A 
ATOM     27 CL   LIG    1        8.054   1.469   2.104  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        8.540  -0.404   0.254  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        8.219  -1.474  -0.578  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.925  -1.986  -0.575  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.952  -1.424   0.254  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  12  17
BRANCH   1  33
ATOM     32  N   LIG    1       -9.769  -0.732   0.260  0.00  0.00    -0.174 NA
ATOM     33  C   LIG    1       -8.613  -0.720   0.219  0.00  0.00    +0.169 C 
ENDBRANCH   1  33
TORSDOF 5