REMARK  Name = BDB002219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.260  -4.431   0.268  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -0.745  -3.202  -0.397  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -1.318  -1.921  -0.496  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.727  -0.790  -1.176  0.00  0.00    +0.129 A 
ATOM      5  N   LIG    1       -1.573   0.252  -1.085  0.00  0.00    -0.163 NA
ATOM      6  N   LIG    1       -2.586  -0.141  -0.267  0.00  0.00    -0.233 N 
ATOM      7  C   LIG    1        0.534  -0.908  -1.811  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1        1.089  -2.149  -1.722  0.00  0.00    -0.140 NA
ATOM      9  C   LIG    1       -2.553  -1.513  -0.032  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -3.684  -2.301   0.528  0.00  0.00    +0.066 C 
ATOM     11  N   LIG    1        0.467  -3.267  -1.027  0.00  0.00    -0.153 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -3.494   0.857   0.188  0.00  0.00    +0.101 A 
ATOM     13  C   LIG    1       -4.204   0.735   1.382  0.00  0.00    +0.149 A 
ATOM     14  F   LIG    1       -4.013  -0.295   2.216  0.00  0.00    -0.203 F 
ATOM     15  C   LIG    1       -5.083   1.736   1.798  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1       -5.249   2.886   1.029  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -4.522   3.040  -0.149  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -3.641   2.037  -0.564  0.00  0.00    +0.031 A 
ENDBRANCH   6  12
BRANCH   7  19
ATOM     19  S   LIG    1        1.326   0.379  -2.706  0.00  0.00    -0.101 S 
BRANCH  19  20
ATOM     20  C   LIG    1        1.380   1.708  -1.446  0.00  0.00    +0.091 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.042   1.336  -0.104  0.00  0.00    +0.095 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.380   0.733  -0.204  0.00  0.00    -0.297 NA
ATOM     23  C   LIG    1        3.816   0.205   1.105  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        5.227  -0.398   1.027  0.00  0.00    +0.175 C 
ATOM     25  O   LIG    1        6.177   0.573   0.567  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1        5.794   1.045  -0.733  0.00  0.00    +0.175 C 
ATOM     27  C   LIG    1        4.395   1.683  -0.703  0.00  0.00    +0.112 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 5