REMARK  Name = BDB031352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.967  -0.717  -0.059  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.392   0.553  -0.053  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -0.006   0.653  -0.075  0.00  0.00    -0.023 A 
ATOM      4  C   LIG    1        0.825   1.889  -0.035  0.00  0.00    +0.056 C 
ATOM      5  C   LIG    1        2.187   1.312  -0.450  0.00  0.00    +0.110 C 
ATOM      6  N   LIG    1        2.196  -0.122  -0.082  0.00  0.00    -0.325 N 
ATOM      7  C   LIG    1        0.828  -0.468  -0.098  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        0.264  -1.730  -0.085  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -1.133  -1.852  -0.072  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -4.367  -0.028  -0.038  0.00  0.00    +0.405 C 
ATOM     11  N   LIG    1       -3.354  -0.944  -0.043  0.00  0.00    -0.251 N 
ATOM     12  H   LIG    1       -3.679  -1.899  -0.035  0.00  0.00    +0.158 HD
ATOM     13  O   LIG    1       -4.276   1.188  -0.053  0.00  0.00    -0.226 OA
BRANCH  10  14
ATOM     14  O   LIG    1       -5.538  -0.716  -0.016  0.00  0.00    -0.444 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -7.865  -1.139   0.021  0.00  0.00    +0.055 C 
ATOM     16  C   LIG    1       -6.812  -0.020  -0.005  0.00  0.00    +0.107 C 
ATOM     17  C   LIG    1       -6.973   0.830   1.260  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1       -7.009   0.806  -1.281  0.00  0.00    +0.055 C 
ENDBRANCH  14  16
ENDBRANCH  10  14
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1        3.117  -1.007  -0.790  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.557  -0.583  -0.570  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1        5.077  -0.530   0.738  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        6.388  -0.145   0.877  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1        7.188   0.179  -0.216  0.00  0.00    +0.067 A 
ATOM     24  N   LIG    1        8.447   0.523   0.261  0.00  0.00    -0.306 N 
ATOM     25  H   LIG    1        9.249   0.807  -0.276  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        8.443   0.418   1.660  0.00  0.00    +0.325 A 
ATOM     27  O   LIG    1        9.376   0.645   2.408  0.00  0.00    -0.247 OA
ATOM     28  C   LIG    1        6.718   0.136  -1.507  0.00  0.00    +0.028 A 
ATOM     29  N   LIG    1        7.156   0.001   2.027  0.00  0.00    -0.306 N 
ATOM     30  H   LIG    1        6.864  -0.154   2.978  0.00  0.00    +0.170 HD
ATOM     31  C   LIG    1        5.383  -0.252  -1.678  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 5