REMARK  Name = BDB004601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.419  -0.749  -1.007  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        4.112  -0.995  -0.534  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        3.048  -0.360  -1.204  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.748  -0.628  -0.724  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        1.528  -1.417   0.335  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        2.596  -1.966   0.907  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        3.308   0.508  -2.294  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        4.601   0.739  -2.741  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.867  -1.803   0.523  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        5.654   0.107  -2.100  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        6.487  -2.204   0.664  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        5.566  -2.401   1.045  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        7.306  -2.614   1.089  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        6.641  -1.364  -0.398  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        7.763  -1.127  -0.832  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.637  -0.039  -1.372  0.00  0.00    -0.327 N 
ATOM     17  H   LIG    1        0.673  -0.314  -2.351  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -0.687  -0.333  -0.805  0.00  0.00    +0.118 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.979   0.523   0.445  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.345   0.380   0.971  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -2.377   0.790   1.905  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.336   1.070   0.144  0.00  0.00    +0.116 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.696   1.043   0.801  0.00  0.00    -0.034 A 
ATOM     24  C   LIG    1       -5.281   2.220   1.290  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -6.539   2.187   1.896  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.223   0.979   2.023  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.649  -0.198   1.546  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.393  -0.167   0.939  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 7