REMARK  Name = BDB006682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.164   0.133   0.026  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1        1.782  -0.056   0.154  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        0.484   0.246  -0.471  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -0.452  -0.521   0.431  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.263  -1.168   1.490  0.00  0.00    +0.270 C 
ATOM      6  O   LIG    1       -0.150  -1.855   2.407  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        1.619  -0.849   1.245  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1        2.839  -1.101   1.746  0.00  0.00    -0.256 N 
ATOM      9  N   LIG    1        3.820  -0.508   1.019  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -1.825  -0.599   0.187  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.405  -0.013  -0.883  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1       -3.780  -0.112  -1.079  0.00  0.00    -0.285 N 
ATOM     13  C   LIG    1       -4.629  -0.798  -0.234  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1       -5.861  -0.718  -0.687  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1       -5.838   0.032  -1.840  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1       -4.064  -1.436   0.914  0.00  0.00    -0.004 A 
ATOM     17  C   LIG    1       -4.907  -2.204   1.901  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1       -4.593   0.396  -2.070  0.00  0.00    +0.135 A 
ATOM     19  C   LIG    1       -4.115   1.222  -3.200  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1       -2.725  -1.327   1.096  0.00  0.00    +0.032 A 
ENDBRANCH   4  10
BRANCH   3  21
ATOM     21  C   LIG    1        0.339   1.756  -0.423  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1        0.637   2.508  -1.575  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        0.516   3.900  -1.573  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        0.096   4.557  -0.420  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -0.054   6.270  -0.419  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.200   3.834   0.732  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.077   2.442   0.733  0.00  0.00    +0.007 A 
ENDBRANCH   3  21
BRANCH   8  28
ATOM     28  C   LIG    1        3.114  -1.919   2.940  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1        4.267  -2.893   3.003  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1        2.860  -3.409   2.966  0.00  0.00    +0.029 C 
ENDBRANCH   8  28
BRANCH   1  31
ATOM     31  C   LIG    1        3.895   0.895  -1.030  0.00  0.00    +0.216 C 
BRANCH  31  33
ATOM     32  C   LIG    1        4.025  -0.605  -2.857  0.00  0.00    +0.194 C 
ATOM     33  O   LIG    1        3.423   0.582  -2.351  0.00  0.00    -0.377 OA
ENDBRANCH  31  33
ENDBRANCH   1  31
TORSDOF 5