REMARK  Name = BDB057588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.867   0.373  -1.870  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1        0.372  -0.114  -2.242  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1        0.821   0.823  -3.226  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        2.051   0.800  -4.057  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1       -0.044   1.835  -3.394  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1       -1.056   1.529  -2.564  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1       -1.868   2.131  -2.507  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1        0.958  -1.332  -1.704  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        2.321  -1.456  -1.855  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.847  -0.629  -2.089  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.279  -2.172  -1.115  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.052  -2.539  -1.241  0.00  0.00    +0.140 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.683  -2.092   0.052  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1        5.018  -1.653   0.088  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        5.615  -1.203   1.278  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        4.849  -1.202   2.442  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        3.516  -1.629   2.418  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        2.934  -2.067   1.231  0.00  0.00    +0.005 A 
BRANCH  15  19
ATOM     19  N   LIG    1        6.958  -0.797   1.175  0.00  0.00    -0.286 N 
ATOM     20  H   LIG    1        7.386  -0.913   0.264  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        7.867  -0.265   2.037  0.00  0.00    +0.214 C 
ATOM     22  O   LIG    1        9.006  -0.051   1.609  0.00  0.00    -0.276 OA
ATOM     23  C   LIG    1        7.522   0.069   3.457  0.00  0.00    +0.109 C 
ENDBRANCH  15  19
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  24
ATOM     24  N   LIG    1       -1.804  -0.089  -1.012  0.00  0.00    -0.221 N 
ATOM     25  H   LIG    1       -1.631  -1.007  -0.585  0.00  0.00    +0.176 HD
BRANCH  24  27
ATOM     26  C   LIG    1       -3.802  -0.059  -0.011  0.00  0.00    +0.138 C 
ATOM     27  N   LIG    1       -2.985   0.553  -0.811  0.00  0.00    -0.189 NA
BRANCH  26  31
ATOM     28  C   LIG    1       -7.658   1.505   0.978  0.00  0.00    +0.120 A 
ATOM     29  C   LIG    1       -6.822   2.215   0.114  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -5.559   1.710  -0.214  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1       -5.130   0.493   0.321  0.00  0.00    -0.005 A 
ATOM     32  C   LIG    1       -5.960  -0.222   1.185  0.00  0.00    +0.013 A 
ATOM     33  C   LIG    1       -7.220   0.287   1.509  0.00  0.00    +0.046 A 
BRANCH  28  35
ATOM     34  C   LIG    1       -9.394   3.127   0.887  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -8.909   1.883   1.378  0.00  0.00    -0.495 OA
ENDBRANCH  28  35
ENDBRANCH  26  31
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 8