REMARK  Name = BDB058557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.253  -2.914   3.617  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -1.150  -3.401   2.242  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1        0.147  -3.065   1.629  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1        0.303  -1.581   1.220  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -0.861  -1.141   0.317  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -2.207  -1.444   0.985  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1       -2.269  -2.934   1.407  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        1.650  -1.308   0.568  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1        2.536  -0.396   1.163  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        3.779  -0.124   0.584  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        4.141  -0.751  -0.608  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1        3.283  -1.675  -1.200  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        2.041  -1.946  -0.620  0.00  0.00    +0.007 A 
BRANCH  11  14
ATOM     14  O   LIG    1        5.361  -0.554  -1.213  0.00  0.00    -0.456 OA
BRANCH  14  15
ATOM     15  C   LIG    1        5.789   0.745  -1.367  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1        4.971   1.756  -1.878  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        5.481   3.045  -2.042  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        6.809   3.317  -1.711  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.631   2.301  -1.223  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        7.123   1.012  -1.058  0.00  0.00    +0.046 A 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   6  21
ATOM     21  N   LIG    1       -3.300  -1.152   0.056  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1       -3.335  -1.776  -0.738  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.791   0.124  -0.136  0.00  0.00    +0.199 A 
ATOM     24  N   LIG    1       -4.717   0.320  -1.181  0.00  0.00    -0.282 N 
ATOM     25  C   LIG    1       -5.197  -0.792  -1.982  0.00  0.00    +0.155 C 
ATOM     26  C   LIG    1       -5.240   1.582  -1.486  0.00  0.00    +0.279 A 
ATOM     27  O   LIG    1       -6.024   1.819  -2.400  0.00  0.00    -0.265 OA
ATOM     28  C   LIG    1       -4.758   2.590  -0.609  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1       -3.883   2.339   0.400  0.00  0.00    +0.097 A 
ATOM     30  C   LIG    1       -3.609   3.534   1.080  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1       -4.350   4.515   0.446  0.00  0.00    +0.085 A 
ATOM     32  N   LIG    1       -5.048   3.926  -0.585  0.00  0.00    -0.355 N 
ATOM     33  H   LIG    1       -5.678   4.394  -1.227  0.00  0.00    +0.166 HD
ATOM     34  N   LIG    1       -3.371   1.078   0.659  0.00  0.00    -0.214 NA
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5