REMARK  Name = BDB018323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.516   3.653   0.624  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -3.756   2.414   0.577  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -4.265   1.280   1.199  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -5.333   1.224   1.801  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.427   0.059   1.102  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.239   0.076   0.471  0.00  0.00    -0.003 A 
ATOM      7  C   LIG    1       -1.748   1.321  -0.137  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.528   2.416  -0.062  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.521  -1.215   0.404  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1       -1.544  -1.972  -0.768  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -0.846  -3.168  -0.793  0.00  0.00    +0.111 A 
ATOM     12  N   LIG    1       -0.141  -3.647   0.254  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -0.129  -2.893   1.374  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -0.797  -1.687   1.500  0.00  0.00    +0.028 A 
ENDBRANCH   6   9
BRANCH   7  15
ATOM     15  C   LIG    1       -0.480   1.374  -0.795  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        0.749   1.174  -0.211  0.00  0.00    +0.117 A 
ATOM     17  N   LIG    1        1.665   1.241  -1.226  0.00  0.00    -0.267 N 
ATOM     18  N   LIG    1        1.111   1.563  -2.417  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1       -0.197   1.628  -2.151  0.00  0.00    +0.143 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.110   1.050  -1.128  0.00  0.00    +0.178 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.492  -0.162  -0.311  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1        4.336  -0.030   0.802  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.691  -1.148   1.559  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.209  -2.408   1.213  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.377  -2.554   0.105  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.026  -1.440  -0.657  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   7  15
TORSDOF 4