REMARK  Name = BDB042669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.121   0.686  -0.673  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.441  -0.335  -0.527  0.00  0.00    -0.042 C 
ATOM      3  C   LIG    1        2.928   0.292  -1.803  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        1.620  -0.361  -2.286  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1        0.630  -0.584  -1.216  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1        1.216  -1.454  -0.183  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1        2.638  -1.136   0.199  0.00  0.00    -0.008 C 
BRANCH   2  11
ATOM      8  C   LIG    1        7.487   0.509   0.652  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        6.657   1.537   0.197  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        5.339   1.260  -0.184  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.828  -0.043  -0.110  0.00  0.00    -0.022 A 
ATOM     12  C   LIG    1        5.674  -1.067   0.343  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        6.993  -0.795   0.723  0.00  0.00    +0.019 A 
BRANCH   8  15
ATOM     14  N   LIG    1        9.931   1.021   1.355  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        8.838   0.792   1.040  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.210   0.536   0.078  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.322  -0.049  -0.801  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.639  -0.113  -0.070  0.00  0.00    +0.021 A 
ATOM     19  N   LIG    1       -3.775  -1.088   0.895  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -3.005  -1.720   1.084  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -4.909  -1.297   1.651  0.00  0.00    +0.258 A 
ATOM     22  O   LIG    1       -4.972  -2.180   2.499  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -6.048  -0.397   1.385  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -5.913   0.583   0.407  0.00  0.00    +0.078 A 
ATOM     25  N   LIG    1       -6.899   1.456   0.090  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1       -8.057   1.337   0.780  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -8.278   0.389   1.770  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -7.251  -0.497   2.080  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -4.664   0.712  -0.337  0.00  0.00    +0.049 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6