REMARK  Name = BDB021254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.289  -0.037  -0.166  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.947   1.002   0.750  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.707   0.923   1.354  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.623   1.970   2.243  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.801   2.665   2.091  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.215  -0.099   1.065  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.107  -1.048   0.228  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.610   2.068   1.156  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.349  -0.986  -0.369  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.312  -2.586  -1.843  0.00  0.00    +0.045 C 
ATOM     11  C   LIG    1        5.500  -1.335  -1.738  0.00  0.00    -0.032 A 
ATOM     12  C   LIG    1        4.298  -1.305  -1.023  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        3.569  -0.113  -0.905  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.124   1.019  -1.499  0.00  0.00    +0.119 A 
ATOM     15  N   LIG    1        5.285   1.030  -2.198  0.00  0.00    -0.262 NA
ATOM     16  C   LIG    1        5.947  -0.142  -2.293  0.00  0.00    +0.114 A 
ENDBRANCH   1  13
BRANCH   5  17
ATOM     17  C   LIG    1        2.200   3.850   2.788  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1        2.484   4.815   3.369  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1       -1.457  -0.128   1.659  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.891  -1.025   1.445  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.406   0.959   1.439  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.774   0.420   1.136  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.082  -0.201  -0.072  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.219  -0.520  -1.237  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -4.299  -0.892  -2.252  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -5.490  -1.300  -1.541  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.354  -0.707  -0.313  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.368  -0.628   0.620  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -6.086  -0.002   1.833  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.806   0.513   2.079  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -4.573   1.105   3.260  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5