REMARK  Name = BDB062827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.429  -0.045  -0.571  0.00  0.00    -0.245 N 
ATOM      2  C   LIG    1       -1.131   1.273  -0.771  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1        0.205   1.418  -0.446  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1        0.722   2.714  -0.529  0.00  0.00    +0.133 A 
ATOM      5  N   LIG    1       -0.096   3.707  -0.944  0.00  0.00    -0.199 NA
ATOM      6  C   LIG    1       -1.379   3.436  -1.230  0.00  0.00    +0.216 A 
ATOM      7  C   LIG    1        0.635   0.105  -0.099  0.00  0.00    +0.105 A 
ATOM      8  N   LIG    1       -1.968   2.238  -1.182  0.00  0.00    -0.195 NA
ATOM      9  N   LIG    1       -0.372  -0.783  -0.172  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        1.966  -0.339   0.295  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        3.039  -0.214  -0.607  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        4.304  -0.646  -0.191  0.00  0.00    +0.112 A 
ATOM     13  C   LIG    1        4.449  -1.190   1.075  0.00  0.00    +0.157 A 
ATOM     14  O   LIG    1        5.762  -1.528   1.231  0.00  0.00    -0.425 OA
ATOM     15  C   LIG    1        6.332  -1.158   0.050  0.00  0.00    +0.286 A 
ATOM     16  C   LIG    1        3.420  -1.350   1.993  0.00  0.00    +0.049 A 
ATOM     17  N   LIG    1        5.515  -0.637  -0.834  0.00  0.00    -0.196 NA
ATOM     18  C   LIG    1        2.159  -0.910   1.567  0.00  0.00    +0.014 A 
BRANCH  15  19
ATOM     19  N   LIG    1        7.641  -1.389  -0.069  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        8.023  -2.105   0.536  0.00  0.00    +0.147 HD
ATOM     21  H   LIG    1        7.986  -1.433  -1.021  0.00  0.00    +0.147 HD
ENDBRANCH  15  19
ENDBRANCH   7  10
BRANCH   6  22
ATOM     22  N   LIG    1       -2.153   4.495  -1.659  0.00  0.00    -0.327 N 
ATOM     23  H   LIG    1       -1.558   5.221  -2.033  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -2.908   4.162  -2.241  0.00  0.00    +0.145 HD
ENDBRANCH   6  22
BRANCH   4  25
ATOM     25  N   LIG    1        2.016   3.077  -0.206  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1        2.260   4.001  -0.542  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        2.737   2.373  -0.209  0.00  0.00    +0.144 HD
ENDBRANCH   4  25
BRANCH   1  28
ATOM     28  C   LIG    1       -2.720  -0.685  -0.783  0.00  0.00    +0.152 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -3.888   0.444   1.190  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -3.547  -0.875   0.498  0.00  0.00    -0.012 C 
ATOM     31  C   LIG    1       -3.067  -1.995   1.476  0.00  0.00    +0.008 C 
ATOM     32  C   LIG    1       -3.993  -2.977   0.736  0.00  0.00    +0.001 C 
ATOM     33  C   LIG    1       -4.810  -1.763   0.256  0.00  0.00    +0.008 C 
ENDBRANCH  28  30
ENDBRANCH   1  28
TORSDOF 6