REMARK  Name = BDB051342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.543  -0.767   0.027  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1        0.237  -0.020   0.925  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        1.609   0.116   0.719  0.00  0.00    +0.066 A 
ATOM      4  N   LIG    1        2.372   0.868   1.625  0.00  0.00    -0.319 N 
ATOM      5  H   LIG    1        1.933   1.313   2.420  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        3.731   1.060   1.509  0.00  0.00    +0.273 A 
ATOM      7  C   LIG    1        4.340   0.424   0.369  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1        3.605  -0.317  -0.530  0.00  0.00    -0.310 N 
ATOM      9  C   LIG    1        4.450  -0.796  -1.505  0.00  0.00    +0.092 A 
ATOM     10  C   LIG    1        5.728  -0.359  -1.225  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        5.660   0.411  -0.042  0.00  0.00    +0.033 A 
ATOM     12  O   LIG    1        4.339   1.731   2.338  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1        2.213  -0.497  -0.387  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.453  -1.241  -1.290  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        0.077  -1.371  -1.079  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1  16
ATOM     16  C   LIG    1       -2.032  -0.911   0.253  0.00  0.00    +0.116 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.694   0.386   0.139  0.00  0.00    -0.310 NA
ATOM     18  H   LIG    1       -2.530   0.767  -0.793  0.00  0.00    +0.122 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -4.924  -0.326  -0.715  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1       -4.132   0.329   0.418  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1       -4.621   1.763   0.629  0.00  0.00    +0.023 C 
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 3