REMARK  Name = BDB054411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.074  -0.660  -1.688  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -0.474  -0.971  -2.908  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.858  -0.612  -3.171  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        1.613   0.075  -2.188  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1        2.960   0.404  -2.499  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        3.512   0.106  -3.753  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        2.752  -0.559  -4.707  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.963   0.413  -0.975  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.439  -0.922  -4.413  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -0.364   0.052  -0.728  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        3.871   1.064  -1.532  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1        4.023   0.408  -0.328  0.00  0.00    -0.308 N 
ATOM     13  H   LIG    1        3.644  -0.528  -0.247  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        4.473   2.081  -1.849  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1        5.002   0.844   0.641  0.00  0.00    +0.073 C 
ATOM     16  C   LIG    1        4.754   0.261   2.026  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1        6.081   0.474   2.742  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        7.154   0.401   1.655  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1        6.413   0.356   0.320  0.00  0.00    +0.022 C 
ENDBRANCH  12  15
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  O   LIG    1       -2.394  -1.024  -1.541  0.00  0.00    -0.455 OA
BRANCH  20  29
ATOM     21  C   LIG    1       -5.801   0.436   1.912  0.00  0.00    +0.164 A 
ATOM     22  C   LIG    1       -5.426   0.982   0.673  0.00  0.00    +0.162 A 
ATOM     23  C   LIG    1       -4.429   0.351  -0.074  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1       -3.796  -0.819   0.402  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -4.174  -1.361   1.644  0.00  0.00    +0.078 A 
ATOM     26  N   LIG    1       -3.611  -2.472   2.151  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1       -2.655  -3.098   1.431  0.00  0.00    +0.115 A 
ATOM     28  C   LIG    1       -2.209  -2.656   0.205  0.00  0.00    +0.066 A 
ATOM     29  C   LIG    1       -2.778  -1.492  -0.300  0.00  0.00    +0.139 A 
ATOM     30  C   LIG    1       -5.168  -0.724   2.375  0.00  0.00    +0.077 A 
BRANCH  21  32
ATOM     31  C   LIG    1       -7.215   0.566   3.835  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -6.787   1.106   2.593  0.00  0.00    -0.491 OA
ENDBRANCH  21  32
BRANCH  22  33
ATOM     33  O   LIG    1       -6.087   2.120   0.286  0.00  0.00    -0.491 OA
ATOM     34  C   LIG    1       -5.713   2.715  -0.949  0.00  0.00    +0.277 C 
ENDBRANCH  22  33
ENDBRANCH  20  29
ENDBRANCH   1  20
TORSDOF 6