REMARK  Name = BDB058548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.089   4.970   0.068  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -2.019   3.517  -0.059  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1       -0.617   3.056  -0.141  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1       -0.401   1.808  -1.036  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -1.563   0.815  -0.890  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -2.929   1.487  -1.143  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1       -2.818   3.034  -1.197  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        0.958   1.172  -0.793  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1        1.262   0.512   0.406  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        2.523  -0.061   0.614  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        3.502   0.019  -0.374  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        3.208   0.680  -1.567  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        1.951   1.252  -1.778  0.00  0.00    +0.007 A 
BRANCH  11  14
ATOM     14  O   LIG    1        4.767  -0.493  -0.302  0.00  0.00    -0.487 OA
BRANCH  14  15
ATOM     15  C   LIG    1        5.112  -1.211   0.881  0.00  0.00    +0.264 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.519  -1.738   0.733  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1        7.537  -1.327   1.604  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        8.832  -1.830   1.466  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        9.123  -2.747   0.458  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        8.119  -3.162  -0.416  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.824  -2.660  -0.280  0.00  0.00    +0.007 A 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   6  22
ATOM     22  N   LIG    1       -3.851   1.139  -0.058  0.00  0.00    -0.311 N 
ATOM     23  H   LIG    1       -3.642   1.662   0.785  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.427  -0.105   0.072  0.00  0.00    +0.199 A 
ATOM     25  N   LIG    1       -5.107  -0.390   1.273  0.00  0.00    -0.282 N 
ATOM     26  C   LIG    1       -5.248   0.615   2.312  0.00  0.00    +0.155 C 
ATOM     27  C   LIG    1       -5.692  -1.637   1.519  0.00  0.00    +0.279 A 
ATOM     28  O   LIG    1       -6.273  -1.952   2.554  0.00  0.00    -0.265 OA
ATOM     29  C   LIG    1       -5.542  -2.527   0.422  0.00  0.00    +0.130 A 
ATOM     30  C   LIG    1       -4.893  -2.190  -0.723  0.00  0.00    +0.097 A 
ATOM     31  C   LIG    1       -4.920  -3.279  -1.605  0.00  0.00    +0.047 A 
ATOM     32  C   LIG    1       -5.609  -4.285  -0.952  0.00  0.00    +0.085 A 
ATOM     33  N   LIG    1       -5.984  -3.814   0.287  0.00  0.00    -0.355 N 
ATOM     34  H   LIG    1       -6.503  -4.324   0.992  0.00  0.00    +0.166 HD
ATOM     35  N   LIG    1       -4.309  -0.949  -0.924  0.00  0.00    -0.214 NA
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6