REMARK  Name = BDB056516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.774   0.238   1.294  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -1.658  -0.347   0.707  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -0.471  -0.565   1.542  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        0.834  -0.556   0.734  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1        0.809  -1.466  -0.418  0.00  0.00    -0.298 N 
ATOM      6  C   LIG    1        1.934  -1.877  -1.118  0.00  0.00    +0.216 C 
ATOM      7  O   LIG    1        1.863  -2.652  -2.071  0.00  0.00    -0.276 OA
ATOM      8  C   LIG    1       -0.508  -1.945  -0.845  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -1.601  -0.883  -0.660  0.00  0.00    +0.126 C 
ATOM     10  O   LIG    1       -2.777   0.528   2.493  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1       -6.422   1.225   0.520  0.00  0.00    -0.298 NA
ATOM     12  C   LIG    1       -5.186   0.957   1.282  0.00  0.00    +0.097 C 
ATOM     13  C   LIG    1       -3.992   0.530   0.411  0.00  0.00    +0.089 C 
ATOM     14  C   LIG    1       -3.674   1.614  -0.633  0.00  0.00    +0.015 C 
ATOM     15  C   LIG    1       -4.850   2.558  -0.883  0.00  0.00    +0.016 C 
ATOM     16  C   LIG    1       -6.174   1.800  -0.809  0.00  0.00    +0.085 C 
BRANCH  11  17
ATOM     17  C   LIG    1       -7.306   0.054   0.478  0.00  0.00    +0.111 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -9.803   0.258   0.741  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -8.693   0.390   0.002  0.00  0.00    -0.019 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1        3.265  -1.308  -0.661  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.418  -1.787  -1.539  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.667  -1.022  -1.187  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1        5.943   0.068  -1.967  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        5.362   0.307  -2.758  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1        7.031   0.879  -1.767  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1        7.263   1.845  -2.484  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1        7.896   0.513  -0.633  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1        7.532  -0.610   0.116  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1        8.336  -0.979   1.196  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1        9.479  -0.240   1.517  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        9.829   0.878   0.759  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        9.037   1.260  -0.322  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1        6.391  -1.376  -0.176  0.00  0.00    -0.234 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 6