REMARK  Name = BDB035016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.025  -0.012   1.029  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -3.691  -0.152   0.352  0.00  0.00    -0.009 A 
ATOM      3  C   LIG    1       -3.580  -0.576  -0.984  0.00  0.00    +0.120 A 
ATOM      4  N   LIG    1       -2.415  -0.718  -1.637  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -1.300  -0.425  -0.933  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1       -1.325  -0.001   0.389  0.00  0.00    +0.067 A 
ATOM      7  N   LIG    1       -0.022   0.198   0.768  0.00  0.00    -0.341 N 
ATOM      8  H   LIG    1        0.291   0.512   1.680  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1        0.831  -0.088  -0.275  0.00  0.00    +0.109 A 
ATOM     10  C   LIG    1        0.052  -0.478  -1.345  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -2.526   0.150   1.074  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        2.205   0.027  -0.171  0.00  0.00    -0.232 N 
ATOM     13  C   LIG    1        2.841   0.447   1.007  0.00  0.00    +0.317 C 
ATOM     14  O   LIG    1        2.293   0.764   2.056  0.00  0.00    -0.252 OA
ATOM     15  N   LIG    1        4.189   0.448   0.780  0.00  0.00    -0.227 N 
ATOM     16  C   LIG    1        5.171   0.850   1.755  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1        4.465   0.074  -0.503  0.00  0.00    +0.241 C 
ATOM     18  O   LIG    1        5.572   0.003  -1.018  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1        3.165  -0.245  -1.213  0.00  0.00    +0.213 C 
ENDBRANCH   9  12
BRANCH   3  20
ATOM     20  N   LIG    1       -4.733  -0.883  -1.725  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1       -5.240  -1.632  -1.265  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -5.332  -0.066  -1.770  0.00  0.00    +0.144 HD
ENDBRANCH   3  20
TORSDOF 2