REMARK  Name = BDB016301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.711   1.300   1.800  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.427   1.649   0.341  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.330   0.870  -0.207  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.444   1.133   0.223  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.383  -0.506  -0.468  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.565  -1.276  -0.585  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.475  -2.668  -0.809  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.255  -3.309  -0.983  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.090  -2.563  -0.952  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.896  -0.823  -0.486  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.620  -1.531  -0.480  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.450   0.412  -0.447  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.678   0.497  -0.351  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.140  -1.179  -0.714  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -3.615   1.639  -0.587  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.126  -0.458  -0.744  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        2.235  -0.776   0.011  0.00  0.00    +0.117 A 
ATOM     18  N   LIG    1        3.186   0.158  -0.301  0.00  0.00    -0.263 N 
ATOM     19  N   LIG    1        2.791   1.022  -1.254  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        1.533   0.654  -1.513  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        4.553   0.136   0.229  0.00  0.00    +0.158 C 
ATOM     22  C   LIG    1        5.204   1.518   0.334  0.00  0.00    +0.189 C 
ATOM     23  O   LIG    1        5.573   1.258   1.718  0.00  0.00    -0.375 OA
ATOM     24  C   LIG    1        4.619   0.165   1.757  0.00  0.00    +0.189 C 
ENDBRANCH  18  21
ENDBRANCH  14  16
TORSDOF 2