REMARK  Name = BDB052408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.851   0.567  -0.673  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        0.139  -0.057  -0.014  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1        1.389   0.224  -0.410  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        2.485  -0.413   0.293  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1        2.486  -1.431   1.198  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1        1.350  -2.166   1.703  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1        3.729  -1.757   1.629  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1        4.550  -0.901   0.979  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1        3.807  -0.048   0.128  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.206   1.072  -0.770  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.144   1.316  -1.874  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1        1.717   1.104  -1.430  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        0.636   1.673  -2.049  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -0.637   1.426  -1.685  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        6.004  -0.915   1.195  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        6.791  -0.150   0.647  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        6.427  -1.869   2.079  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        5.728  -2.450   2.527  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        7.402  -1.935   2.321  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1       -2.131   0.259  -0.235  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1       -2.105  -0.391   0.540  0.00  0.00    +0.155 HD
BRANCH  20  23
ATOM     22  C   LIG    1       -4.520   0.105   0.121  0.00  0.00    +0.141 A 
ATOM     23  C   LIG    1       -3.429   0.652  -0.600  0.00  0.00    +0.076 A 
ATOM     24  C   LIG    1       -3.701   1.550  -1.637  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1       -5.015   1.903  -1.957  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -6.077   1.361  -1.242  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.833   0.463  -0.203  0.00  0.00    +0.047 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -5.230  -1.337   1.887  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -4.171  -0.771   1.126  0.00  0.00    -0.493 OA
ENDBRANCH  22  29
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4