REMARK  Name = BDB018508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.083  -1.544   0.202  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -0.954  -2.478   0.374  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.205  -3.799   0.264  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -2.464  -4.303  -0.012  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -2.624  -5.745  -0.128  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -3.565  -3.481  -0.203  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -4.701  -3.865  -0.464  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -3.312  -2.025  -0.068  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -1.737   2.632   0.583  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1       -2.073   2.136  -0.614  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1       -2.177   0.793  -0.713  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1       -1.980  -0.080   0.338  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -1.651   0.541   1.526  0.00  0.00    +0.124 A 
ATOM     14  N   LIG    1       -1.526   1.879   1.671  0.00  0.00    -0.222 NA
BRANCH   9  16
ATOM     15  C   LIG    1       -1.985   4.594   1.909  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -1.606   4.012   0.641  0.00  0.00    -0.317 N 
ATOM     17  H   LIG    1       -2.105   4.368  -0.166  0.00  0.00    +0.149 HD
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1        0.371  -2.016   0.661  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        1.068  -1.042  -0.017  0.00  0.00    +0.117 A 
ATOM     20  N   LIG    1        2.252  -0.868   0.652  0.00  0.00    -0.264 N 
ATOM     21  N   LIG    1        2.411  -1.773   1.651  0.00  0.00    -0.178 NA
ATOM     22  C   LIG    1        1.258  -2.444   1.668  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.333   0.097   0.380  0.00  0.00    +0.134 C 
ATOM     24  C   LIG    1        3.842   0.768   1.664  0.00  0.00    +0.038 C 
BRANCH  23  25
ATOM     25  C   LIG    1        2.954   1.138  -0.666  0.00  0.00    -0.023 A 
ATOM     26  C   LIG    1        3.522   1.080  -1.950  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        3.172   2.014  -2.926  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.246   3.015  -2.637  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        1.673   3.085  -1.370  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.025   2.157  -0.390  0.00  0.00    +0.006 A 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 5