REMARK  Name = BDB018402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.023  -0.528   0.040  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        1.187  -0.325  -0.670  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        2.194  -0.078   0.242  0.00  0.00    -0.238 N 
ATOM      4  N   LIG    1        1.733  -0.234   1.516  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        0.424  -0.450   1.383  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.504  -0.200   0.064  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -1.282  -0.793  -0.506  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.426  -1.612  -1.569  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1       -2.655  -1.914  -2.127  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.699  -2.820  -3.264  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.840  -1.399  -1.622  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1       -4.961  -1.641  -2.063  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.707  -0.488  -0.461  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1       -2.274   0.650   1.124  0.00  0.00    -0.489 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -4.004   0.523   2.813  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1       -3.345   1.376   1.734  0.00  0.00    +0.167 C 
ATOM     17  C   LIG    1       -2.726   2.624   2.359  0.00  0.00    +0.051 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1        3.577   0.192   0.017  0.00  0.00    +0.079 A 
ATOM     19  C   LIG    1        4.106   0.641  -1.204  0.00  0.00    +0.084 A 
ATOM     20  C   LIG    1        5.500   0.785  -1.356  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        6.366   0.505  -0.300  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.848   0.099   0.924  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.468  -0.052   1.084  0.00  0.00    +0.028 A 
BRANCH  19  24
ATOM     24  C   LIG    1        3.286   1.145  -2.321  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1        2.372   1.941  -2.248  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        3.668   0.599  -3.489  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        3.079   1.013  -4.154  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   3  18
TORSDOF 6