REMARK  Name = BDB048850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.965   1.248  -0.869  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1       -1.646   2.702  -0.769  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1       -0.466   2.860  -1.730  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1        0.136   1.455  -1.928  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -0.991   0.570  -1.492  0.00  0.00    -0.001 C 
ENDROOT
BRANCH   1  14
ATOM      6  O   LIG    1       -5.907   1.719   1.597  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -5.181   0.967   0.958  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1       -5.499  -0.455   0.762  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1       -4.592  -1.215   0.020  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1       -4.867  -2.569  -0.182  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -6.025  -3.147   0.347  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -6.921  -2.373   1.086  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -3.419  -0.670  -0.526  0.00  0.00    -0.229 NA
ATOM     14  C   LIG    1       -3.175   0.587  -0.333  0.00  0.00    +0.137 A 
ATOM     15  C   LIG    1       -6.661  -1.020   1.297  0.00  0.00    +0.015 A 
ATOM     16  N   LIG    1       -4.015   1.401   0.381  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -3.809   2.376   0.532  0.00  0.00    +0.170 HD
ENDBRANCH   1  14
BRANCH   4  18
ATOM     18  N   LIG    1        1.406   1.232  -1.239  0.00  0.00    -0.293 NA
ATOM     19  C   LIG    1        2.061  -0.042  -1.613  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1        2.268  -1.033  -0.447  0.00  0.00    +0.120 C 
ATOM     21  N   LIG    1        3.036  -0.420   0.653  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1        2.727   1.011   0.898  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        1.401   1.440   0.223  0.00  0.00    +0.104 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.378  -0.753   0.859  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        4.969  -0.501   2.111  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        6.307  -0.816   2.374  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        7.084  -1.392   1.379  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        8.730  -1.781   1.690  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        6.533  -1.656   0.131  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        5.191  -1.339  -0.122  0.00  0.00    +0.024 A 
ENDBRANCH  21  24
ENDBRANCH   4  18
TORSDOF 3