REMARK  Name = BDB027833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.140   1.551   0.313  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -2.016   2.625  -0.017  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -3.245   2.312  -0.628  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -4.085   3.376  -0.921  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -3.830   4.689  -0.688  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -2.642   4.965  -0.128  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -3.616   1.057  -0.938  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1       -2.770   0.039  -0.664  0.00  0.00    +0.076 A 
ATOM      9  C   LIG    1       -1.721   3.989   0.218  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -1.533   0.265  -0.065  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.249  -1.298  -1.067  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -2.900  -2.471  -0.389  0.00  0.00    +0.151 A 
ATOM     13  F   LIG    1       -2.109  -2.448   0.694  0.00  0.00    -0.203 F 
ATOM     14  C   LIG    1       -3.391  -3.692  -0.828  0.00  0.00    +0.149 A 
ATOM     15  N   LIG    1       -4.207  -3.840  -1.895  0.00  0.00    -0.260 NA
ATOM     16  C   LIG    1       -4.551  -2.707  -2.541  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1       -4.108  -1.444  -2.171  0.00  0.00    +0.032 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1        0.092   1.836   0.912  0.00  0.00    -0.337 N 
ATOM     19  H   LIG    1       -0.026   2.568   1.610  0.00  0.00    +0.147 HD
BRANCH  18  21
ATOM     20  C   LIG    1        2.265   1.797   1.970  0.00  0.00    +0.032 C 
ATOM     21  C   LIG    1        1.178   0.904   1.310  0.00  0.00    +0.039 C 
ATOM     22  C   LIG    1        0.686  -0.068   2.393  0.00  0.00    +0.032 C 
BRANCH  21  23
ATOM     23  C   LIG    1        1.825   0.226   0.050  0.00  0.00    +0.109 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.985  -0.653   0.326  0.00  0.00    -0.296 NA
ATOM     25  C   LIG    1        3.986  -0.551  -0.763  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1        5.175  -1.496  -0.525  0.00  0.00    +0.175 C 
ATOM     27  O   LIG    1        4.741  -2.857  -0.414  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        3.800  -2.986   0.658  0.00  0.00    +0.175 C 
ATOM     29  C   LIG    1        2.581  -2.075   0.437  0.00  0.00    +0.112 C 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 5