REMARK  Name = BDB032720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.230   0.730   0.897  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.473   0.304  -0.185  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.554  -0.744  -0.796  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.535   1.387  -0.501  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.820   2.463   0.338  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -2.084   3.630   0.249  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -1.055   3.691  -0.699  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -0.775   2.599  -1.556  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -1.528   1.421  -1.447  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.968   2.124   1.227  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.665  -2.514   1.301  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.660  -1.809   1.279  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.584  -0.714   0.457  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -8.384  -0.551  -0.140  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.614   0.262   0.438  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -6.777   1.286  -0.226  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.423   0.046   1.385  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.213  -1.444   1.654  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.495  -2.040   2.213  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        0.350   2.691  -2.556  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.604   2.560  -1.877  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.147   1.314  -1.879  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        3.315   1.367  -1.171  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        3.521   2.285  -0.804  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1        1.647   0.347  -2.431  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.220   0.329  -0.899  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        5.352   0.644  -0.146  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1        6.301  -0.340   0.166  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        6.156  -1.670  -0.260  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1        5.008  -1.960  -1.017  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1        4.054  -0.983  -1.333  0.00  0.00    +0.024 A 
BRANCH  29  32
ATOM     32  C   LIG    1        7.154  -2.770   0.052  0.00  0.00    +0.019 C 
ATOM     33  C   LIG    1        8.637  -2.489   0.108  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        7.888  -2.811   1.370  0.00  0.00    +0.009 C 
ENDBRANCH  29  32
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 6