REMARK  Name = BDB039412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.073  -1.270   0.253  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.861  -0.253  -0.043  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        2.218  -0.528   0.043  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.387   0.359  -0.225  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.518  -0.494   0.117  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.123  -1.789   0.419  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        4.828  -2.753   0.647  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.656  -1.795   0.417  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.788  -2.822   0.719  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.419  -2.547   0.638  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  16
ATOM     11  N   LIG    1       -4.516  -1.892   1.951  0.00  0.00    -0.332 N 
ATOM     12  C   LIG    1       -3.583  -1.395   1.076  0.00  0.00    +0.142 A 
ATOM     13  C   LIG    1       -4.251  -0.609   0.141  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -3.484   0.011  -0.866  0.00  0.00    -0.021 A 
ATOM     15  C   LIG    1       -2.096  -0.228  -0.820  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1       -1.531  -1.027   0.178  0.00  0.00    +0.074 A 
ATOM     17  C   LIG    1       -5.633  -0.654   0.484  0.00  0.00    +0.029 A 
ATOM     18  N   LIG    1       -2.260  -1.637   1.141  0.00  0.00    -0.229 NA
ATOM     19  C   LIG    1       -5.767  -1.452   1.601  0.00  0.00    +0.088 A 
BRANCH  11  21
ATOM     20  C   LIG    1       -3.817  -1.992   4.314  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -4.220  -2.766   3.071  0.00  0.00    +0.120 C 
ENDBRANCH  11  21
BRANCH  14  22
ATOM     22  C   LIG    1       -4.064   0.880  -1.960  0.00  0.00    +0.120 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.472   2.229  -1.970  0.00  0.00    -0.298 NA
ATOM     24  C   LIG    1       -4.109   3.064  -3.014  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1       -5.073   3.631  -1.963  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1       -4.080   3.088  -0.925  0.00  0.00    +0.086 C 
ENDBRANCH  22  23
ENDBRANCH  14  22
ENDBRANCH   1  16
BRANCH   5  27
ATOM     27  C   LIG    1        5.901  -0.165  -0.205  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1        6.166  -0.169  -1.720  0.00  0.00    +0.240 C 
ATOM     29  O   LIG    1        5.385  -0.604  -2.563  0.00  0.00    -0.273 OA
ATOM     30  N   LIG    1        7.371   0.373  -2.106  0.00  0.00    -0.255 N 
ATOM     31  H   LIG    1        7.529   0.381  -3.105  0.00  0.00    +0.158 HD
ATOM     32  C   LIG    1        8.084   1.314  -1.408  0.00  0.00    +0.219 C 
ATOM     33  O   LIG    1        8.916   2.022  -1.967  0.00  0.00    -0.275 OA
ATOM     34  C   LIG    1        7.802   1.414   0.073  0.00  0.00    +0.098 C 
ATOM     35  C   LIG    1        6.328   1.184   0.368  0.00  0.00    +0.041 C 
ENDBRANCH   5  27
TORSDOF 5