REMARK  Name = BDB036972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.652   2.863  -1.573  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1       -1.109   1.618  -0.893  0.00  0.00    +0.018 A 
ATOM      3  N   LIG    1       -0.288   0.790  -0.134  0.00  0.00    -0.332 N 
ATOM      4  C   LIG    1       -1.036  -0.268   0.369  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -2.345  -0.106  -0.104  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.336  -1.049   0.238  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -3.009  -2.135   1.050  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.713  -2.285   1.523  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -0.713  -1.361   1.196  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -2.374   1.074  -0.883  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1        1.158   1.014   0.005  0.00  0.00    +0.174 C 
ATOM     12  C   LIG    1        1.734   0.694   1.371  0.00  0.00    +0.242 C 
ATOM     13  O   LIG    1        1.419   1.301   2.394  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        2.653  -0.329   1.437  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        3.028  -0.520   2.358  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        2.927  -1.276   0.482  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        3.620  -2.254   0.745  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        2.262  -1.091  -0.859  0.00  0.00    +0.099 C 
ATOM     19  C   LIG    1        1.971   0.375  -1.127  0.00  0.00    +0.044 C 
ENDBRANCH   3  11
TORSDOF 1