REMARK  Name = BDB022018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.010  -0.450  -0.408  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        1.138  -1.232   0.248  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        2.495  -0.716  -0.212  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        2.658   0.716   0.038  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        3.897   1.353   0.111  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        4.051   2.519   0.463  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.464   1.478   0.386  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.275   1.063  -0.474  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.099   0.578  -0.270  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        6.019   0.152   0.705  0.00  0.00    -0.038 A 
ATOM     11  C   LIG    1        5.825   0.468   2.160  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        7.150  -0.562   0.285  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        7.354  -0.845  -1.069  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.438  -0.409  -2.025  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.311   0.308  -1.628  0.00  0.00    +0.013 A 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  N   LIG    1       -2.425  -0.255  -0.434  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -2.219   0.190  -1.319  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -1.344  -0.731   0.292  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1       -1.396  -1.319   1.367  0.00  0.00    -0.275 OA
BRANCH  16  25
ATOM     20  C   LIG    1       -8.037  -0.420   0.757  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -6.569  -0.373   0.437  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1       -6.091   0.208  -0.752  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1       -7.030   0.812  -1.760  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -4.707   0.225  -1.001  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1       -3.792  -0.324  -0.092  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1       -4.276  -0.895   1.081  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -5.650  -0.920   1.342  0.00  0.00    +0.005 A 
ENDBRANCH  16  25
ENDBRANCH   1  18
TORSDOF 3