REMARK  Name = BDB006951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.792   0.045  -0.481  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.067  -1.045  -0.356  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.427  -1.062  -0.707  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        1.988  -2.311  -0.476  0.00  0.00    +0.070 A 
ATOM      5  N   LIG    1        3.274  -2.638  -0.707  0.00  0.00    -0.257 NA
ATOM      6  C   LIG    1        4.039  -1.634  -1.198  0.00  0.00    +0.115 A 
ATOM      7  C   LIG    1        3.574  -0.344  -1.478  0.00  0.00    -0.023 A 
ATOM      8  C   LIG    1        0.961  -3.287   0.057  0.00  0.00    +0.025 C 
ATOM      9  C   LIG    1        1.382  -3.845   1.419  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1        0.725  -4.422  -0.944  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1        2.225  -0.057  -1.220  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -0.285  -2.375   0.179  0.00  0.00    +0.126 C 
ATOM     13  O   LIG    1       -0.443   1.129  -0.950  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.235  -0.229   0.008  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.568   0.658   0.097  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -3.108   0.952  -0.017  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -2.716   2.014   0.917  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -3.459   3.348   0.597  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -2.737   4.127  -0.504  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -4.862   3.181   0.161  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -5.427   3.953   0.508  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -5.396   1.893   0.598  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -4.982  -0.549   0.991  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.373  -2.293  -0.584  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -4.577  -1.832   0.501  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        4.502   0.710  -2.025  0.00  0.00    +0.071 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.431   1.295  -0.987  0.00  0.00    -0.043 A 
ATOM     28  C   LIG    1        6.781   0.920  -0.944  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.633   1.456   0.023  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.145   2.368   0.957  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.804   2.746   0.925  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.950   2.212  -0.041  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6