REMARK  Name = BDB045448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.155  -0.695   0.505  0.00  0.00    +0.077 C 
ATOM      2  C   LIG    1        0.889  -1.006  -0.803  0.00  0.00    +0.038 C 
ATOM      3  C   LIG    1        2.011  -0.002  -1.047  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1        1.491   1.363  -1.232  0.00  0.00    -0.298 NA
ATOM      5  C   LIG    1        0.302   1.655  -0.417  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.194   0.804   0.845  0.00  0.00    +0.038 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -1.464  -1.275   2.713  0.00  0.00    -0.253 OA
ATOM      8  C   LIG    1       -1.937  -1.438   1.597  0.00  0.00    +0.304 C 
ATOM      9  N   LIG    1       -1.212  -1.209   0.440  0.00  0.00    -0.296 N 
ATOM     10  H   LIG    1       -1.761  -0.909  -0.352  0.00  0.00    +0.151 HD
ATOM     11  N   LIG    1       -3.207  -1.873   1.288  0.00  0.00    -0.269 N 
ATOM     12  H   LIG    1       -3.335  -2.180   0.336  0.00  0.00    +0.156 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -4.269  -2.127   2.178  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -4.238  -1.807   3.537  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -5.339  -2.081   4.355  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -6.481  -2.672   3.820  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.525  -2.989   2.465  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -5.425  -2.715   1.648  0.00  0.00    +0.023 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1        2.544   2.376  -1.037  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.681   2.270  -2.033  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1        4.994   2.040  -1.597  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        6.040   1.952  -2.518  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.785   2.094  -3.881  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.484   2.324  -4.326  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.438   2.413  -3.407  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4