REMARK  Name = BDB003620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.435   0.864   0.268  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1       -3.154   1.314  -0.112  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.100   0.423   0.163  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -2.323  -0.885   0.755  0.00  0.00    +0.113 A 
ATOM      5  N   LIG    1       -1.139  -1.494   0.893  0.00  0.00    -0.147 NA
ATOM      6  N   LIG    1       -0.251  -0.585   0.397  0.00  0.00    -0.149 N 
ATOM      7  C   LIG    1       -3.605  -1.353   1.083  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -0.788   0.574  -0.049  0.00  0.00    -0.147 NA
ATOM      9  C   LIG    1       -4.644  -0.442   0.799  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        1.154  -0.879   0.371  0.00  0.00    +0.094 A 
ATOM     11  C   LIG    1        2.156   0.021  -0.140  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        3.511  -0.417  -0.092  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1        4.555   0.396  -0.567  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        4.306   1.655  -1.102  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.004   2.117  -1.167  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.843  -1.674   0.431  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        2.866  -2.531   0.917  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        1.955   1.318  -0.697  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        1.535  -2.139   0.888  0.00  0.00    +0.030 A 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1       -5.557   1.638  -0.079  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1       -6.384   1.447   0.479  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -5.367   2.633  -0.156  0.00  0.00    +0.142 HD
ENDBRANCH   1  20
TORSDOF 2