REMARK  Name = BDB054426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.289  -0.892  -0.733  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        0.901  -0.412  -0.343  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1        1.933  -1.226  -0.647  0.00  0.00    +0.188 A 
ATOM      4  C   LIG    1        1.841  -2.442  -1.300  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1        3.072  -2.998  -1.446  0.00  0.00    -0.126 NA
ATOM      6  N   LIG    1        3.955  -2.169  -0.903  0.00  0.00    -0.058 NA
ATOM      7  C   LIG    1        0.571  -2.850  -1.669  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1        3.294  -1.079  -0.407  0.00  0.00    -0.194 N 
ATOM      9  N   LIG    1       -0.491  -2.057  -1.379  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.007  -0.026   0.232  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1        3.351   1.101   0.743  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        4.083   2.118   1.367  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        5.467   2.018   1.483  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.128   0.902   0.978  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.404  -0.117   0.354  0.00  0.00    +0.028 A 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  N   LIG    1       -1.369  -0.066  -0.462  0.00  0.00    -0.275 N 
ATOM     17  H   LIG    1       -1.036   0.605   0.220  0.00  0.00    +0.153 HD
BRANCH  16  25
ATOM     18  O   LIG    1       -3.588  -0.755   3.327  0.00  0.00    -0.245 OA
ATOM     19  C   LIG    1       -3.417  -0.597   2.135  0.00  0.00    +0.342 C 
ATOM     20  C   LIG    1       -4.242   0.201   1.243  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1       -3.716   0.122  -0.028  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -4.312   0.807  -1.076  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -5.450   1.575  -0.804  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.975   1.646   0.498  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -2.535  -0.776  -0.010  0.00  0.00    +0.298 C 
ATOM     26  C   LIG    1       -5.366   0.951   1.544  0.00  0.00    +0.015 A 
ATOM     27  O   LIG    1       -2.403  -1.114   1.383  0.00  0.00    -0.435 OA
ENDBRANCH  16  25
ENDBRANCH   1  16
TORSDOF 3