REMARK  Name = BDB032224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.632   1.238   1.504  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1        0.861   0.345   2.158  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -0.475   0.449   1.975  0.00  0.00    +0.119 A 
ATOM      4  C   LIG    1       -1.085   1.415   1.178  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1       -0.252   2.319   0.514  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        1.128   2.232   0.682  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        3.005   1.195   1.635  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1        3.465   0.095   2.421  0.00  0.00    +0.231 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.995   0.117   2.490  0.00  0.00    +0.044 C 
BRANCH   9  14
ATOM     10  C   LIG    1        5.886  -0.941  -2.879  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1        5.185  -1.147  -1.615  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1        4.652   0.108  -1.065  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1        5.533   0.726   0.022  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        5.768  -0.236   1.200  0.00  0.00    -0.005 C 
ATOM     15  C   LIG    1        5.576  -1.704   0.777  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        6.019  -1.905  -0.672  0.00  0.00    +0.084 C 
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -2.580   1.452   1.026  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.005   0.352   0.172  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1       -2.369   0.193  -0.607  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.344   0.244  -0.214  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -4.664  -0.613  -1.278  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -5.992  -0.832  -1.693  0.00  0.00    -0.011 A 
ATOM     23  C   LIG    1       -7.053  -0.202  -1.012  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1       -8.368  -0.457  -1.473  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1       -8.638  -1.262  -2.517  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1       -7.600  -1.851  -3.139  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -6.730   0.626   0.086  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -6.280  -1.672  -2.772  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -5.401   0.830   0.482  0.00  0.00    +0.023 A 
BRANCH  24  30
ATOM     30  N   LIG    1       -9.484   0.126  -0.850  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1       -9.397   1.136  -0.887  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -9.511  -0.165   0.121  0.00  0.00    +0.144 HD
ENDBRANCH  24  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 8