REMARK  Name = BDB051302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.381   1.256   2.199  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -5.227   0.862   2.085  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -4.671   0.392   0.781  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -5.555   0.255  -0.291  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -5.104  -0.172  -1.536  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -3.737  -0.431  -1.677  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.811  -0.294  -0.637  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -1.512  -0.606  -1.194  0.00  0.00    -0.021 A 
ATOM      9  C   LIG    1       -1.720  -0.959  -2.514  0.00  0.00    +0.087 A 
ATOM     10  N   LIG    1       -3.051  -0.848  -2.791  0.00  0.00    -0.360 N 
ATOM     11  H   LIG    1       -3.478  -1.036  -3.688  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -3.287   0.103   0.646  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -2.397   0.285   1.855  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1       -3.170   0.060   3.148  0.00  0.00    +0.109 C 
ATOM     15  N   LIG    1       -4.384   0.836   3.170  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -4.844   1.032   4.051  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  17
ATOM     17  C   LIG    1       -0.191  -0.561  -0.473  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.048  -0.618  -1.379  0.00  0.00    +0.086 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.274  -0.499  -0.582  0.00  0.00    -0.312 NA
ATOM     20  H   LIG    1        2.285   0.398  -0.097  0.00  0.00    +0.122 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.463  -0.581  -1.431  0.00  0.00    +0.116 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.718  -0.374  -0.616  0.00  0.00    -0.034 A 
ATOM     23  C   LIG    1        5.470   0.803  -0.743  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        6.626   0.989   0.017  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.040   0.005   0.913  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.297  -1.165   1.054  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.141  -1.353   0.294  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   8  17
TORSDOF 5