REMARK  Name = BDB008921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.059  -1.766  -0.651  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1        0.873  -3.109  -1.002  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1        1.714  -4.039  -0.522  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1       -0.160  -3.508  -1.842  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -1.039  -2.552  -2.346  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.892  -1.199  -2.002  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        0.175  -0.815  -1.165  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        1.931   0.811   0.537  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        2.518  -0.249   0.722  0.00  0.00    +0.222 C 
ATOM     10  N   LIG    1        2.147  -1.477   0.201  0.00  0.00    -0.283 N 
ATOM     11  H   LIG    1        2.698  -2.287   0.469  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1        3.789  -0.337   1.573  0.00  0.00    +0.089 C 
ATOM     13  C   LIG    1        4.008   0.929   2.416  0.00  0.00    +0.093 C 
ATOM     14  N   LIG    1        4.461   2.092   1.644  0.00  0.00    -0.315 NA
ATOM     15  H   LIG    1        3.706   2.342   0.995  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        5.672   1.797   0.882  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1        5.481   0.607  -0.056  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1        5.022  -0.634   0.708  0.00  0.00    +0.015 C 
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   6  19
ATOM     19  C   LIG    1       -1.841  -0.173  -2.588  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.302   0.899  -1.606  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.385   0.585  -0.621  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -4.017  -0.777  -0.574  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.880  -1.007   0.671  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.736   0.213   0.985  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.863   1.449   1.214  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.759   1.581   0.201  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.083   2.902   0.129  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -3.386   3.823   0.880  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -2.114   3.025  -0.828  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -1.626   3.913  -0.884  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -1.717   2.056  -1.694  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 4