REMARK  Name = BDB056950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.466  -0.874   0.568  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1        0.200   0.408   0.098  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1       -1.023   1.072  -0.118  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.008   2.293  -0.286  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1        1.379   1.035  -0.168  0.00  0.00    -0.141 NA
ATOM      6  C   LIG    1        2.285   0.074   0.045  0.00  0.00    +0.185 A 
ATOM      7  N   LIG    1        1.750  -1.111   0.489  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.351   0.420  -0.160  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -3.417   1.023   0.520  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.689   0.441   0.450  0.00  0.00    +0.127 A 
ATOM     11  C   LIG    1       -4.903  -0.724  -0.300  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -3.838  -1.304  -0.992  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -2.566  -0.730  -0.930  0.00  0.00    +0.013 A 
BRANCH  10  14
ATOM     14  N   LIG    1       -5.809   1.054   1.173  0.00  0.00    +0.056 N 
ATOM     15  O   LIG    1       -6.950   0.644   0.920  0.00  0.00    -0.126 OA
ATOM     16  O   LIG    1       -5.541   1.932   2.004  0.00  0.00    -0.126 OA
ENDBRANCH  10  14
ENDBRANCH   3   8
BRANCH   6  17
ATOM     17  C   LIG    1        3.715   0.249  -0.156  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        4.246   1.460  -0.588  0.00  0.00    +0.122 A 
ATOM     19  N   LIG    1        5.570   1.685  -0.796  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        6.404   0.651  -0.560  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        5.980  -0.595  -0.129  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.615  -0.795   0.075  0.00  0.00    +0.014 A 
ENDBRANCH   6  17
BRANCH   1  23
ATOM     23  N   LIG    1       -0.441  -1.745   1.067  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1       -1.183  -1.391   1.666  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -0.011  -2.563   1.498  0.00  0.00    +0.145 HD
ENDBRANCH   1  23
TORSDOF 4