REMARK  Name = BDB041103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.041   1.552   2.861  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -0.907   0.752   1.723  0.00  0.00    +0.165 A 
ATOM      3  N   LIG    1       -1.962   0.138   1.152  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1       -3.169   0.315   1.720  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1       -3.394   1.041   2.831  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -2.318   1.649   3.370  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.321  -0.388   1.129  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -4.652  -0.350  -0.252  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -5.747  -1.114  -0.712  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -6.527  -1.872   0.161  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -6.229  -1.887   1.515  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.141  -1.155   1.989  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.868   0.493  -1.257  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1       -4.774   1.411  -2.090  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -3.020  -0.397  -2.168  0.00  0.00    +0.012 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1       -0.095   3.058   4.435  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        0.088   2.127   3.375  0.00  0.00    -0.490 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1        0.360   0.658   1.112  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1        1.070   0.588   1.837  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.479  -0.389   0.109  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.917  -0.464  -0.353  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.473   0.572  -1.112  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.805   0.511  -1.539  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        4.629  -0.582  -1.216  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.052  -1.616  -0.456  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        2.721  -1.560  -0.026  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.040  -0.663  -1.651  0.00  0.00    +0.071 A 
ATOM     28  N   LIG    1        6.524  -1.916  -1.857  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1        7.807  -2.045  -2.260  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        8.660  -0.977  -2.469  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        8.167   0.301  -2.248  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        6.846   0.463  -1.834  0.00  0.00    +0.028 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7