REMARK  Name = BDB007509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.099  -2.683   0.443  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.863  -1.912   1.294  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.927  -0.916   1.131  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.144  -3.907   0.422  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.136  -0.025  -1.127  0.00  0.00    -0.033 A 
ATOM      6  C   LIG    1        1.323  -0.696  -0.199  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        0.768  -1.944  -0.515  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        1.043  -2.536  -1.753  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.845  -1.874  -2.682  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.381  -0.624  -2.373  0.00  0.00    +0.005 A 
BRANCH   5  11
ATOM     11  C   LIG    1        2.735   1.327  -0.795  0.00  0.00    +0.119 C 
BRANCH  11  16
ATOM     12  C   LIG    1        8.395   1.866  -0.375  0.00  0.00    +0.105 C 
ATOM     13  N   LIG    1        6.998   1.584  -0.676  0.00  0.00    -0.303 NA
ATOM     14  C   LIG    1        6.254   2.810  -1.017  0.00  0.00    +0.099 C 
ATOM     15  C   LIG    1        4.719   2.729  -0.798  0.00  0.00    +0.100 C 
ATOM     16  N   LIG    1        4.196   1.363  -0.912  0.00  0.00    -0.296 NA
ATOM     17  C   LIG    1        4.868   0.472   0.059  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        6.332   0.858   0.408  0.00  0.00    +0.099 C 
ENDBRANCH  11  16
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  C   LIG    1       -1.786  -2.510   2.241  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.010  -3.200   1.616  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.912  -3.587   2.669  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -4.674  -2.977   2.588  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.796  -2.370   0.569  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.814  -1.461   1.153  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.818  -1.073   0.136  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.531   0.232  -0.565  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.137   1.322   0.230  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -4.944   2.579  -0.342  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -5.127   2.746  -1.715  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.509   1.664  -2.510  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.946   1.045   1.696  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -5.719   0.408  -1.938  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.206  -0.298   1.842  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8