REMARK  Name = BDB051322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.042  -1.212  -1.347  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.687  -0.729  -1.559  0.00  0.00    -0.299 N 
ATOM      3  H   LIG    1        0.031  -1.433  -1.611  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -0.290   0.488  -1.069  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        1.030   0.820  -1.319  0.00  0.00    -0.284 N 
ATOM      6  C   LIG    1        1.541   2.028  -0.653  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1        3.056   2.299  -0.794  0.00  0.00    +0.103 C 
ATOM      8  N   LIG    1        3.984   1.302  -0.228  0.00  0.00    -0.297 NA
ATOM      9  C   LIG    1        3.485  -0.075  -0.198  0.00  0.00    +0.086 C 
ATOM     10  C   LIG    1        2.994  -0.685  -1.516  0.00  0.00    +0.034 C 
ATOM     11  C   LIG    1        1.922   0.122  -2.242  0.00  0.00    +0.110 C 
ATOM     12  O   LIG    1       -1.054   1.224  -0.450  0.00  0.00    -0.253 OA
BRANCH   8  13
ATOM     13  C   LIG    1        5.319   1.438  -0.833  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.420   0.744  -0.059  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1        6.643   1.051   1.292  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        7.667   0.423   2.003  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        8.482  -0.514   1.370  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        8.274  -0.823   0.027  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.250  -0.197  -0.685  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   1   2
BRANCH   1  20
ATOM     20  C   LIG    1       -2.267  -1.734   0.076  0.00  0.00    +0.056 C 
BRANCH  20  28
ATOM     21  O   LIG    1       -8.232   1.923   0.871  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1       -7.048   1.608   0.873  0.00  0.00    +0.244 C 
ATOM     23  C   LIG    1       -6.604   0.183   0.790  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -7.587  -0.805   0.870  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -7.249  -2.152   0.787  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1       -5.902  -2.474   0.602  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -4.880  -1.520   0.507  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -3.657  -2.257   0.282  0.00  0.00    -0.021 A 
ATOM     29  C   LIG    1       -3.985  -3.600   0.277  0.00  0.00    +0.087 A 
ATOM     30  N   LIG    1       -5.328  -3.717   0.475  0.00  0.00    -0.360 N 
ATOM     31  H   LIG    1       -5.840  -4.588   0.513  0.00  0.00    +0.165 HD
ATOM     32  C   LIG    1       -5.230  -0.143   0.626  0.00  0.00    -0.024 A 
ATOM     33  C   LIG    1       -4.239   0.997   0.529  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1       -4.713   2.217   1.304  0.00  0.00    +0.109 C 
ATOM     35  N   LIG    1       -6.066   2.565   0.953  0.00  0.00    -0.311 N 
ATOM     36  H   LIG    1       -6.412   3.499   1.137  0.00  0.00    +0.149 HD
ENDBRANCH  20  28
ENDBRANCH   1  20
TORSDOF 5