REMARK  Name = BDB008867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.381  -0.454   0.057  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.322  -0.269   0.955  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.902   0.252   0.510  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.058   0.552  -0.851  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.009   0.341  -1.750  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.209  -0.170  -1.300  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.213   1.573  -0.637  0.00  0.00    +0.092 C 
ATOM      8  C   LIG    1        3.942   1.070   0.060  0.00  0.00    +0.120 C 
ATOM      9  N   LIG    1        3.867  -0.391   0.212  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        2.657  -1.010   0.568  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        2.598  -1.995   1.301  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        5.072  -1.041   0.715  0.00  0.00    +0.108 C 
ATOM     13  C   LIG    1        6.306  -0.635  -0.078  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1        6.466   0.882  -0.085  0.00  0.00    +0.016 C 
BRANCH   7  18
ATOM     15  N   LIG    1        6.141   1.967  -2.869  0.00  0.00    -0.329 N 
ATOM     16  H   LIG    1        6.986   2.332  -2.453  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        6.096   1.884  -3.877  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1        5.094   1.459  -2.156  0.00  0.00    +0.215 C 
ATOM     19  O   LIG    1        4.123   1.005  -2.752  0.00  0.00    -0.276 OA
ENDBRANCH   7  18
ENDBRANCH   1  10
BRANCH   3  20
ATOM     20  C   LIG    1       -2.035   0.473   1.484  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.072  -0.648   1.452  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.468  -0.365   0.986  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.895   1.026   0.610  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -6.413   1.188   0.470  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -7.037   0.004  -0.252  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.741  -1.304   0.483  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.316  -1.408   0.952  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.860  -2.756   1.375  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -5.603  -3.731   1.331  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.568  -2.837   1.819  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -3.227  -3.750   2.100  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -2.672  -1.818   1.857  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4