REMARK  Name = BDB031342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.917  -0.176  -2.012  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -0.915  -0.606  -0.698  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.156  -1.214  -0.411  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.764   0.519  -2.560  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.836  -0.267   0.317  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -2.945   0.562   0.109  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -3.753   0.810   1.196  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1       -3.499   0.275   2.456  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1       -4.493   0.717   3.320  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -4.594   0.507   4.299  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -5.380   1.536   2.604  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1       -6.368   2.095   3.045  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1       -2.422  -0.539   2.697  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1       -4.906   1.584   1.286  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -5.349   2.102   0.544  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -1.584  -0.808   1.606  0.00  0.00    +0.025 A 
ENDBRANCH   2   5
BRANCH   1  18
ATOM     17  C   LIG    1        1.554  -0.595  -2.445  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        0.213  -0.662  -2.839  0.00  0.00    +0.063 A 
ATOM     19  C   LIG    1       -0.096  -1.223  -4.085  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        0.922  -1.734  -4.881  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        2.217  -1.667  -4.403  0.00  0.00    +0.111 A 
ATOM     22  N   LIG    1        2.551  -1.120  -3.212  0.00  0.00    -0.254 NA
BRANCH  17  25
ATOM     23  C   LIG    1        3.263  -0.114   0.906  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        2.826  -0.680  -0.297  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        2.031   0.041  -1.205  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        1.706   1.368  -0.884  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        2.138   1.940   0.314  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        2.910   1.199   1.210  0.00  0.00    +0.045 A 
BRANCH  23  30
ATOM     29  C   LIG    1        4.579  -0.384   2.866  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        4.008  -0.949   1.692  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  17  25
ENDBRANCH   1  18
TORSDOF 4