REMARK  Name = BDB052964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.783   0.042   0.625  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -1.847   1.144  -0.240  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1       -0.723   1.971  -0.331  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        0.441   1.720   0.391  0.00  0.00    +0.110 A 
ATOM      5  N   LIG    1        1.401   2.675   0.129  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.843   3.491  -0.734  0.00  0.00    +0.200 A 
ATOM      7  C   LIG    1        0.527   0.593   1.243  0.00  0.00    +0.059 A 
ATOM      8  N   LIG    1       -0.436   3.112  -1.045  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1       -0.619  -0.219   1.355  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -1.323   3.805  -1.972  0.00  0.00    +0.083 C 
ATOM     11  C   LIG    1       -0.763   3.802  -3.395  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -1.636   5.225  -1.500  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   7  13
ATOM     13  N   LIG    1        1.707   0.330   1.969  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1        2.378   1.058   1.701  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.294  -0.998   1.806  0.00  0.00    +0.137 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.946  -1.169   0.453  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1        4.223  -0.641   0.206  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        4.820  -0.790  -1.046  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.147  -1.460  -2.066  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.875  -1.980  -1.836  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        2.276  -1.833  -0.584  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   7  13
BRANCH   1  22
ATOM     22  O   LIG    1       -2.933  -0.703   0.651  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -3.017  -1.811   1.549  0.00  0.00    +0.229 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.439  -3.071   0.904  0.00  0.00    +0.041 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -1.679  -4.251   3.028  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -2.555  -4.313   1.786  0.00  0.00    -0.000 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 8