REMARK  Name = BDB018731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.372  -0.378  -0.103  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -0.511   0.075  -1.097  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -1.882  -0.164  -0.994  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1       -2.739   0.285  -2.002  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -2.353   0.633  -2.872  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -4.105   0.192  -1.952  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1       -4.716  -0.139  -0.596  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1       -4.833   1.158   0.218  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1       -5.970   0.925   1.154  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -6.778  -0.215   0.657  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1       -3.873  -1.202   0.126  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -6.186  -0.560  -0.702  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1       -4.775   0.462  -2.946  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -2.403  -0.875   0.089  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -1.535  -1.343   1.078  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -0.163  -1.089   0.984  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        4.585   0.373  -0.385  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        3.682   1.434  -0.464  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        2.309   1.187  -0.364  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.818  -0.121  -0.201  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        2.745  -1.177  -0.148  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        4.119  -0.937  -0.247  0.00  0.00    +0.013 A 
BRANCH  17  25
ATOM     23  C   LIG    1        8.342   0.298   0.177  0.00  0.00    +0.132 C 
ATOM     24  N   LIG    1        6.918   0.140   0.419  0.00  0.00    -0.304 N 
ATOM     25  C   LIG    1        6.032   0.651  -0.528  0.00  0.00    +0.246 C 
ATOM     26  O   LIG    1        6.387   1.314  -1.501  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1        6.541  -0.270   1.765  0.00  0.00    +0.132 C 
ENDBRANCH  17  25
ENDBRANCH   1  20
BRANCH   9  28
ATOM     28  C   LIG    1       -6.384   1.805   2.074  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1       -6.741   2.565   2.870  0.00  0.00    -0.174 NA
ENDBRANCH   9  28
TORSDOF 3