REMARK  Name = BDB028571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.785  -0.752  -0.702  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.641  -0.877  -0.867  0.00  0.00    -0.448 OA
BRANCH   2   4
ATOM      3  O   LIG    1        0.897   1.130   0.192  0.00  0.00    -0.226 OA
ATOM      4  C   LIG    1        1.377   0.142  -0.350  0.00  0.00    +0.403 C 
ATOM      5  N   LIG    1        2.719  -0.063  -0.518  0.00  0.00    -0.267 N 
ATOM      6  C   LIG    1        3.720   0.876  -0.043  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1        5.008   0.412  -0.723  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1        4.812  -1.109  -0.785  0.00  0.00    +0.030 C 
ATOM      9  C   LIG    1        3.326  -1.248  -1.097  0.00  0.00    +0.112 C 
BRANCH   7  10
ATOM     10  C   LIG    1        6.256   0.852  -0.008  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1        6.447   0.403   1.256  0.00  0.00    -0.260 NA
ATOM     12  C   LIG    1        7.564   0.803   1.903  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1        8.516   1.640   1.348  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        8.310   2.095   0.052  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        7.167   1.698  -0.637  0.00  0.00    +0.023 A 
ENDBRANCH   7  10
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -1.213  -1.176   0.708  0.00  0.00    +0.166 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.089  -2.607   0.831  0.00  0.00    -0.387 OA
ATOM     18  H   LIG    1       -1.934  -2.956   0.480  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -2.667  -0.786   1.057  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.648  -1.611   0.310  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -4.204  -0.900  -0.863  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -5.242   0.157  -0.548  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -5.958   0.130   0.661  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -6.936   1.103   0.913  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -7.216   2.082  -0.039  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.522   2.100  -1.246  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.636  -0.901   1.712  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -5.542   1.141  -1.501  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.770  -2.047   1.166  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7