REMARK  Name = BDB052975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.018   1.444   0.889  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -2.829   1.265   0.630  0.00  0.00    +0.280 A 
ATOM      3  N   LIG    1       -2.209   0.064   0.272  0.00  0.00    -0.195 N 
ATOM      4  N   LIG    1       -0.849  -0.039   0.090  0.00  0.00    -0.147 NA
ATOM      5  C   LIG    1       -0.050   0.984   0.176  0.00  0.00    +0.153 A 
ATOM      6  C   LIG    1       -0.599   2.340   0.446  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        0.203   3.494   0.434  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -0.355   4.745   0.710  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.714   4.855   0.988  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.516   3.715   0.974  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -1.959   2.456   0.693  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -2.899  -1.194   0.103  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -2.177  -2.352  -0.256  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.803  -3.591  -0.430  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.175  -3.707  -0.250  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.915  -2.583   0.100  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.283  -1.343   0.273  0.00  0.00    +0.028 A 
ENDBRANCH   3  12
BRANCH   5  18
ATOM     18  N   LIG    1        1.327   0.862   0.072  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1        1.883   1.484   0.637  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.942  -0.199  -0.509  0.00  0.00    +0.153 A 
ATOM     21  C   LIG    1        3.314  -0.510  -0.238  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        3.599  -1.617  -1.031  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1        4.848  -2.244  -1.058  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.845  -1.710  -0.236  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.596  -0.603   0.574  0.00  0.00    +0.001 A 
ATOM     26  N   LIG    1        2.436  -1.881  -1.697  0.00  0.00    -0.275 N 
ATOM     27  H   LIG    1        2.260  -2.623  -2.364  0.00  0.00    +0.189 HD
ATOM     28  C   LIG    1        4.335   0.009   0.585  0.00  0.00    +0.013 A 
ATOM     29  N   LIG    1        1.439  -1.030  -1.426  0.00  0.00    -0.157 NA
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 3