REMARK  Name = BDB006050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.372   0.629  -0.322  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1        2.600  -0.709   0.417  0.00  0.00    +0.184 C 
ATOM      3  C   LIG    1        1.415  -1.012   1.357  0.00  0.00    +0.253 C 
ATOM      4  N   LIG    1        0.250  -1.554   0.658  0.00  0.00    -0.309 N 
ATOM      5  C   LIG    1       -0.829  -0.841   0.241  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1       -1.720  -1.666  -0.412  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -2.888  -1.056  -0.898  0.00  0.00    -0.008 A 
ATOM      8  C   LIG    1       -4.037  -1.672  -1.641  0.00  0.00    +0.141 C 
ATOM      9  N   LIG    1       -4.911  -0.556  -1.869  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1       -5.801  -0.592  -2.347  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -4.434   0.631  -1.356  0.00  0.00    +0.245 C 
ATOM     12  O   LIG    1       -5.007   1.698  -1.433  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -3.137   0.344  -0.726  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1       -2.275   1.240  -0.072  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -2.200   2.626   0.265  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -0.990   2.832   0.953  0.00  0.00    +0.052 A 
ATOM     17  N   LIG    1       -0.348   1.605   1.033  0.00  0.00    -0.311 N 
ATOM     18  C   LIG    1        0.964   1.376   1.642  0.00  0.00    +0.224 C 
ATOM     19  C   LIG    1       -0.609   4.102   1.421  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -1.467   5.181   1.193  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.668   5.004   0.518  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.042   3.739   0.053  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -1.145  -2.969  -0.395  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -1.554  -4.224  -0.893  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -0.738  -5.345  -0.710  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        0.475  -5.233  -0.040  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        0.908  -4.004   0.465  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1       -1.116   0.668   0.419  0.00  0.00    +0.077 A 
ATOM     29  C   LIG    1        0.085  -2.880   0.279  0.00  0.00    +0.052 A 
ATOM     30  O   LIG    1        1.041   0.071   2.223  0.00  0.00    -0.331 OA
ATOM     31  C   LIG    1        2.126   1.730   0.712  0.00  0.00    +0.076 C 
ENDROOT
BRANCH   1  33
ATOM     32  C   LIG    1        3.399   2.077  -2.023  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1        3.542   0.899  -1.184  0.00  0.00    -0.314 NA
ATOM     34  H   LIG    1        4.376   0.976  -0.597  0.00  0.00    +0.122 HD
ENDBRANCH   1  33
BRANCH   2  35
ATOM     35  O   LIG    1        3.820  -0.584   1.192  0.00  0.00    -0.374 OA
ATOM     36  C   LIG    1        4.504  -1.821   1.349  0.00  0.00    +0.194 C 
ENDBRANCH   2  35
TORSDOF 2