REMARK  Name = BDB018799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.555   0.943  -0.394  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        0.485   0.042  -0.400  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1        0.582  -1.452  -0.310  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1       -0.859  -1.871  -0.575  0.00  0.00    +0.118 C 
ATOM      5  N   LIG    1       -1.701  -0.670  -0.460  0.00  0.00    -0.269 N 
ATOM      6  C   LIG    1       -3.075  -0.840  -0.459  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1       -3.547  -1.979  -0.581  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1       -0.856   0.459  -0.462  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -1.143   1.811  -0.542  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.090   2.733  -0.547  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        1.241   2.306  -0.473  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        5.643  -0.338  -0.155  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        5.122   0.156  -1.353  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        3.791   0.575  -1.433  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.952   0.505  -0.313  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1        3.484   0.011   0.886  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        4.818  -0.408   0.967  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        7.534  -1.223   0.980  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        6.957  -0.712  -0.215  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   6  20
ATOM     20  C   LIG    1       -4.008   0.352  -0.234  0.00  0.00    +0.170 C 
ATOM     21  N   LIG    1       -5.460   0.028  -0.469  0.00  0.00    -0.258 N 
ATOM     22  C   LIG    1       -6.236   0.323   0.752  0.00  0.00    +0.117 C 
ATOM     23  C   LIG    1       -5.363   1.306   1.510  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -3.961   0.798   1.233  0.00  0.00    +0.034 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -5.968  -0.429  -1.618  0.00  0.00    +0.170 C 
ATOM     26  N   LIG    1       -6.424  -0.781  -2.622  0.00  0.00    -0.174 NA
ENDBRANCH  21  25
ENDBRANCH   6  20
TORSDOF 4