REMARK  Name = BDB016401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.458   1.025   2.922  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.754   1.057   2.104  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.449   0.597   0.759  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.507   0.857   0.466  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.370   0.801  -0.287  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.769   0.944  -0.116  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -4.588   1.170  -1.244  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -4.072   1.202  -2.535  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.717   0.995  -2.729  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.492   0.896   1.094  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.484   1.097   1.038  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.153   0.569   2.365  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.035   0.603   3.230  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.870   0.779  -1.631  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -2.772   0.120   2.713  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.462   0.563  -1.929  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        0.248  -0.567  -1.586  0.00  0.00    +0.117 A 
ATOM     18  N   LIG    1        1.536  -0.354  -2.000  0.00  0.00    -0.264 N 
ATOM     19  N   LIG    1        1.692   0.825  -2.648  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1        0.475   1.375  -2.601  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        2.670  -1.254  -1.764  0.00  0.00    +0.134 C 
ATOM     22  C   LIG    1        3.776  -1.144  -2.818  0.00  0.00    +0.038 C 
BRANCH  21  23
ATOM     23  C   LIG    1        3.202  -1.068  -0.350  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1        3.753   0.155   0.069  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.228   0.314   1.371  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.160  -0.745   2.273  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.618  -1.965   1.873  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.142  -2.127   0.571  0.00  0.00    +0.006 A 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  14  16
TORSDOF 3