REMARK  Name = BDB064937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.163   1.192   0.355  0.00  0.00    -0.042 A 
ATOM      2  C   LIG    1        0.911   0.552   0.411  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.247   1.168  -0.088  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1       -0.142   2.433  -0.666  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        1.092   3.085  -0.718  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.235   2.473  -0.206  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.456   0.444   0.001  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -1.406  -0.427   0.504  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1       -2.746   0.926  -0.198  0.00  0.00    +0.312 C 
ATOM     10  N   LIG    1       -3.704  -0.097  -0.232  0.00  0.00    -0.234 N 
ATOM     11  C   LIG    1       -5.081   0.159   0.041  0.00  0.00    +0.171 A 
ATOM     12  C   LIG    1       -6.019  -0.871  -0.145  0.00  0.00    +0.161 A 
ATOM     13  C   LIG    1       -7.350  -0.658   0.207  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -7.731   0.577   0.714  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -6.754   1.545   0.858  0.00  0.00    +0.113 A 
ATOM     16  O   LIG    1       -5.727  -2.119  -0.639  0.00  0.00    -0.487 OA
ATOM     17  C   LIG    1       -4.503  -2.121  -1.375  0.00  0.00    +0.248 C 
ATOM     18  N   LIG    1       -5.454   1.355   0.544  0.00  0.00    -0.236 NA
ATOM     19  C   LIG    1       -3.383  -1.484  -0.567  0.00  0.00    +0.158 C 
ATOM     20  O   LIG    1       -3.001   2.116  -0.352  0.00  0.00    -0.252 OA
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1        3.821   1.167   2.230  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        3.395   0.496   0.919  0.00  0.00    +0.023 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.541   0.455  -0.114  0.00  0.00    +0.084 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.572  -0.567   0.228  0.00  0.00    +0.134 A 
ATOM     25  N   LIG    1        5.596  -1.854  -0.243  0.00  0.00    -0.320 N 
ATOM     26  C   LIG    1        4.663  -2.477  -1.142  0.00  0.00    +0.151 C 
ATOM     27  C   LIG    1        6.691  -2.441   0.310  0.00  0.00    +0.224 A 
ATOM     28  N   LIG    1        7.311  -1.575   1.076  0.00  0.00    -0.138 NA
ATOM     29  N   LIG    1        6.610  -0.394   1.020  0.00  0.00    -0.135 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 4