REMARK  Name = BDB018681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -7.515   0.099   0.475  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -6.720  -1.133   0.754  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -5.275  -0.746   0.427  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -4.452  -1.962   0.024  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -4.946  -3.021  -0.352  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.091  -1.788  -0.007  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -2.559  -2.549  -0.410  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -2.425  -0.702   0.570  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -3.141   0.210   1.349  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -2.464   1.277   1.944  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.089   1.431   1.746  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -0.358   0.516   0.970  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1       -1.049  -0.561   0.389  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -4.606  -0.028   1.609  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -5.481   0.175  -0.785  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -6.742   0.963  -0.454  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        1.092   0.679   0.775  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        1.621   1.880   0.270  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        2.998   2.040   0.088  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        3.866   0.991   0.398  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.364  -0.201   0.925  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        1.986  -0.356   1.103  0.00  0.00    +0.009 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.322   1.196   0.222  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1        6.053   0.254  -0.492  0.00  0.00    -0.293 N 
ATOM     25  C   LIG    1        7.503   0.422  -0.584  0.00  0.00    +0.136 C 
ATOM     26  C   LIG    1        8.183  -0.893  -0.972  0.00  0.00    +0.179 C 
ATOM     27  O   LIG    1        7.716  -1.448  -2.211  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        6.400  -1.018  -2.585  0.00  0.00    +0.179 C 
ATOM     29  C   LIG    1        5.482  -0.761  -1.385  0.00  0.00    +0.136 C 
ATOM     30  O   LIG    1        5.826   2.199   0.721  0.00  0.00    -0.270 OA
ENDBRANCH  20  23
ENDBRANCH  12  17
BRANCH   1  32
ATOM     31  N   LIG    1       -9.976   0.294   0.845  0.00  0.00    -0.174 NA
ATOM     32  C   LIG    1       -8.835   0.201   0.674  0.00  0.00    +0.169 C 
ENDBRANCH   1  32
TORSDOF 3