REMARK  Name = BDB030630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.906   0.849  -1.694  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.553   0.780  -1.379  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.418   1.368  -2.288  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1       -1.742   1.132  -1.639  0.00  0.00    +0.022 C 
ATOM      5  C   LIG    1       -2.077   1.767  -0.314  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1       -1.520   0.373  -0.372  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1       -0.049   0.133  -0.220  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1        2.271   1.419  -2.726  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        4.897  -0.389   0.044  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        3.846  -0.802   0.814  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1        3.879  -1.333   1.678  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1        2.645  -0.445   0.335  0.00  0.00    -0.169 NA
ATOM     13  C   LIG    1        2.914   0.239  -0.794  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        4.323   0.289  -1.007  0.00  0.00    +0.057 A 
BRANCH   9  16
ATOM     15  C   LIG    1        6.612  -2.174   0.387  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        6.329  -0.672   0.374  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1        6.733  -0.029   1.702  0.00  0.00    +0.014 C 
ENDBRANCH   9  16
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  C   LIG    1       -3.558   2.158   0.008  0.00  0.00    +0.142 A 
ATOM     19  N   LIG    1       -4.634   1.438   0.504  0.00  0.00    -0.285 N 
ATOM     20  C   LIG    1       -5.500   2.403   0.964  0.00  0.00    +0.229 A 
ATOM     21  N   LIG    1       -5.062   3.601   0.665  0.00  0.00    -0.138 NA
ATOM     22  N   LIG    1       -3.851   3.446   0.051  0.00  0.00    -0.134 NA
BRANCH  19  23
ATOM     23  C   LIG    1       -4.906   0.051   0.535  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -5.577  -0.500   1.636  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1       -5.890  -1.861   1.655  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.557  -2.669   0.570  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.921  -2.118  -0.541  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.603  -0.758  -0.564  0.00  0.00    +0.026 A 
ENDBRANCH  19  23
ENDBRANCH   5  18
TORSDOF 4