REMARK  Name = BDB031356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.689   1.285   0.684  0.00  0.00    -0.341 N 
ATOM      2  H   LIG    1        1.354   1.627   1.583  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1  11
ATOM      3  O   LIG    1        8.085  -1.522  -0.797  0.00  0.00    -0.247 OA
ATOM      4  C   LIG    1        7.104  -0.945  -0.362  0.00  0.00    +0.325 A 
ATOM      5  N   LIG    1        5.799  -1.015  -0.870  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1        5.539  -1.563  -1.673  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        4.974  -0.208  -0.092  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        5.755   0.370   0.902  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        5.230   1.236   1.824  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        3.858   1.503   1.719  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.030   0.894   0.733  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        3.624   0.042  -0.212  0.00  0.00    +0.050 A 
ATOM     13  N   LIG    1        7.060  -0.081   0.741  0.00  0.00    -0.306 N 
ATOM     14  H   LIG    1        7.864   0.161   1.297  0.00  0.00    +0.170 HD
ENDBRANCH   1  11
BRANCH   1  15
ATOM     15  C   LIG    1        0.672   0.512  -0.038  0.00  0.00    +0.073 C 
ATOM     16  C   LIG    1       -0.585   1.376  -0.182  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -1.717   0.584  -0.834  0.00  0.00    +0.086 C 
ATOM     18  N   LIG    1       -2.018  -0.634  -0.066  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1       -0.835  -1.500   0.035  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1        0.326  -0.774   0.712  0.00  0.00    +0.037 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.142  -1.383  -0.663  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.474  -0.671  -0.546  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1       -5.245  -0.406  -1.687  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -6.479   0.237  -1.573  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.957   0.617  -0.321  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.202   0.356   0.821  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.968  -0.287   0.710  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  15
TORSDOF 4