REMARK  Name = BDB055090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.475   0.803  -0.110  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -2.148   0.736  -0.439  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1       -1.498   0.030  -0.133  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -1.846   1.792  -1.259  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1       -3.057   2.462  -1.385  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1       -3.218   3.581  -2.123  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -2.089   4.001  -2.738  0.00  0.00    +0.135 A 
ATOM      8  C   LIG    1       -0.841   3.386  -2.662  0.00  0.00    +0.082 A 
ATOM      9 CL   LIG    1        0.479   4.088  -3.532  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1       -0.669   2.218  -1.890  0.00  0.00    +0.077 A 
ATOM     11  N   LIG    1       -4.048   1.845  -0.676  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -2.412  -1.956   1.522  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -3.768  -1.359   1.483  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -4.222  -0.203   0.803  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -5.559  -0.106   1.110  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1       -5.832  -1.161   1.923  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1       -7.105  -1.493   2.514  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1       -4.763  -1.942   2.168  0.00  0.00    -0.176 NA
ENDBRANCH   1  14
BRANCH  10  19
ATOM     19  N   LIG    1        0.576   1.576  -1.797  0.00  0.00    -0.325 N 
ATOM     20  C   LIG    1        1.167   1.581  -0.445  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        2.601   1.004  -0.485  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        2.644  -0.356  -1.082  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        2.068  -0.291  -2.447  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        0.621   0.254  -2.450  0.00  0.00    +0.120 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.025  -0.864  -1.147  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.597  -1.196   0.217  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        5.742  -0.538   0.691  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        6.267  -0.849   1.947  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.653  -1.821   2.735  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        6.301  -2.202   4.282  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        4.517  -2.485   2.277  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        3.992  -2.174   1.022  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  10  19
TORSDOF 4