REMARK  Name = BDB002951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.374  -0.149   1.321  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1        0.665  -0.416   0.407  0.00  0.00    +0.127 A 
ATOM      3  C   LIG    1        1.971   0.034   0.720  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1        2.798  -0.326  -0.285  0.00  0.00    +0.176 A 
ATOM      5  C   LIG    1        4.212  -0.065  -0.371  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        4.770   0.645   0.725  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        3.886   1.073   1.876  0.00  0.00    +0.195 C 
ATOM      8  O   LIG    1        4.322   1.687   2.840  0.00  0.00    -0.287 OA
ATOM      9  C   LIG    1        6.132   0.949   0.741  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        6.935   0.548  -0.329  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.383  -0.152  -1.409  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.020  -0.461  -1.434  0.00  0.00    +0.012 A 
ATOM     13  O   LIG    1        2.071  -0.984  -1.220  0.00  0.00    -0.353 OA
ATOM     14  C   LIG    1        2.449   0.724   1.808  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        1.419   0.993   2.719  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1        0.730  -1.044  -0.793  0.00  0.00    -0.077 NA
ATOM     17  C   LIG    1        0.060   0.572   2.483  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  20
ATOM     18  N   LIG    1       -2.088  -1.272   0.011  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1       -1.395  -1.385  -0.725  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -1.778  -0.549   1.138  0.00  0.00    +0.246 C 
ATOM     21  O   LIG    1       -2.615  -0.221   1.973  0.00  0.00    -0.270 OA
BRANCH  18  22
ATOM     22  C   LIG    1       -3.467  -1.610  -0.310  0.00  0.00    +0.165 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.289  -0.404  -0.819  0.00  0.00    +0.266 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.372   1.130  -2.618  0.00  0.00    +0.197 C 
ATOM     25  O   LIG    1       -3.780  -0.060  -2.118  0.00  0.00    -0.353 OA
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  O   LIG    1       -5.670  -0.762  -0.919  0.00  0.00    -0.353 OA
ATOM     27  C   LIG    1       -6.371  -0.544   0.298  0.00  0.00    +0.197 C 
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   1  20
TORSDOF 5