REMARK  Name = BDB018212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.608   0.249   1.177  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        0.634  -0.344   1.101  0.00  0.00    +0.117 A 
ATOM      3  N   LIG    1        1.473   0.416   1.871  0.00  0.00    -0.267 N 
ATOM      4  N   LIG    1        0.848   1.450   2.473  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -0.412   1.351   2.041  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  13
ATOM      6  C   LIG    1       -5.050   1.408  -0.843  0.00  0.00    +0.049 C 
ATOM      7  C   LIG    1       -3.982   0.438  -0.451  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.228  -1.003  -0.776  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1       -5.277  -1.340  -1.319  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1       -3.207  -1.884  -0.425  0.00  0.00    -0.317 N 
ATOM     11  C   LIG    1       -3.367  -3.302  -0.705  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1       -2.046  -1.465   0.204  0.00  0.00    +0.097 A 
ATOM     13  C   LIG    1       -1.810  -0.176   0.517  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -2.837   0.792   0.155  0.00  0.00    +0.018 A 
ENDBRANCH   1  13
BRANCH   3  15
ATOM     15  C   LIG    1        2.889   0.175   2.117  0.00  0.00    +0.178 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.730   0.475   0.900  0.00  0.00    -0.026 A 
ATOM     17  C   LIG    1        3.851   1.791   0.427  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        4.629   2.071  -0.697  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.297   1.042  -1.357  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.187  -0.269  -0.895  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.408  -0.552   0.228  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 3