REMARK  Name = BDB018829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.174  -0.451  -0.129  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -0.822  -0.133  -0.110  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.239  -1.062  -0.079  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.470  -0.397  -0.066  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        2.681  -1.093  -0.046  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        2.615  -2.495  -0.047  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.382  -3.164  -0.057  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.273   1.088  -0.048  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1        0.184  -2.446  -0.071  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.242   1.214  -0.229  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -2.611  -1.602  -0.049  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.975  -0.408  -0.026  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        4.753  -0.315  -1.184  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        5.968   0.349  -1.119  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        6.454   0.916   0.005  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        5.694   0.809   1.115  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        4.466   0.168   1.149  0.00  0.00    +0.028 A 
ENDBRANCH   5  12
BRANCH   1  19
ATOM     18  N   LIG    1       -4.453   0.415  -0.851  0.00  0.00    -0.258 N 
ATOM     19  C   LIG    1       -3.148   0.738  -0.181  0.00  0.00    +0.170 C 
ATOM     20  C   LIG    1       -3.527   1.151   1.248  0.00  0.00    +0.034 C 
ATOM     21  C   LIG    1       -4.999   1.509   1.160  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -5.534   0.505   0.154  0.00  0.00    +0.117 C 
BRANCH  18  24
ATOM     23  N   LIG    1       -4.664  -0.686  -3.080  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -4.565  -0.195  -2.037  0.00  0.00    +0.170 C 
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 3