REMARK  Name = BDB048393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.511  -4.330  -2.575  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.198  -3.791  -2.070  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.179  -2.481  -1.607  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.856  -1.962  -1.213  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.990  -0.717  -0.412  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.022   0.051   0.290  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.599   1.112   0.866  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.905   1.029   0.547  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.183  -0.052  -0.229  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.488  -0.493  -0.770  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.233  -1.490  -1.921  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -1.194  -4.505  -2.068  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.286  -0.308   0.331  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.540  -1.173  -0.128  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.413   0.311   0.922  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        3.653  -0.354   0.863  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        4.817   0.195   1.429  0.00  0.00    -0.012 A 
ATOM     18  C   LIG    1        4.736   1.438   2.063  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.517   2.109   2.136  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.369   1.547   1.571  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        6.089  -0.499   1.355  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        6.258  -1.864   1.345  0.00  0.00    +0.238 A 
ATOM     23  O   LIG    1        7.579  -2.167   1.284  0.00  0.00    -0.362 OA
ATOM     24  N   LIG    1        8.318  -0.996   1.258  0.00  0.00    -0.086 NA
ATOM     25  C   LIG    1        7.415  -0.013   1.305  0.00  0.00    +0.165 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  26
ATOM     26  C   LIG    1       -2.827   2.036   1.057  0.00  0.00    +0.147 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.811   3.283   0.223  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -3.808   3.501  -0.889  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -3.908   4.307   0.376  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 5