REMARK  Name = BDB011110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.357   1.012   0.750  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1       -1.197  -0.066   0.689  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.647  -0.224   0.975  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -2.926  -1.609   0.358  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1       -1.619  -2.304   0.239  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1       -1.470  -3.203  -0.915  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1       -2.841  -3.807  -1.261  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1       -3.834  -2.824  -1.613  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -3.603  -1.531  -1.027  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1       -0.659  -1.256   0.256  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        0.610  -1.397  -0.121  0.00  0.00    -0.199 NA
ATOM     12  C   LIG    1        1.389  -0.308  -0.051  0.00  0.00    +0.220 A 
ATOM     13  N   LIG    1        0.931   0.890   0.363  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -1.443   4.883   1.955  0.00  0.00    +0.213 A 
ATOM     15  N   LIG    1       -0.652   4.757   0.889  0.00  0.00    -0.222 NA
ATOM     16  C   LIG    1       -0.311   3.496   0.537  0.00  0.00    +0.126 A 
ATOM     17  C   LIG    1       -0.747   2.352   1.181  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -1.558   2.622   2.266  0.00  0.00    +0.126 A 
ATOM     19  N   LIG    1       -1.934   3.860   2.659  0.00  0.00    -0.222 NA
BRANCH  14  20
ATOM     20  N   LIG    1       -1.818   6.154   2.327  0.00  0.00    -0.327 N 
ATOM     21  H   LIG    1       -1.746   6.779   1.537  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -2.694   6.127   2.827  0.00  0.00    +0.145 HD
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH  12  23
ATOM     23  N   LIG    1        2.705  -0.408  -0.463  0.00  0.00    -0.295 N 
ATOM     24  C   LIG    1        3.668   0.603  -0.008  0.00  0.00    +0.136 C 
ATOM     25  C   LIG    1        4.826  -0.071   0.747  0.00  0.00    +0.179 C 
ATOM     26  O   LIG    1        5.536  -1.047  -0.032  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        4.720  -1.694  -1.021  0.00  0.00    +0.179 C 
ATOM     28  C   LIG    1        3.233  -1.765  -0.641  0.00  0.00    +0.136 C 
ENDBRANCH  12  23
TORSDOF 3