REMARK  Name = BDB062846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.597  -0.098  -0.408  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -2.746   0.544  -0.136  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -3.908  -0.047  -0.488  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -3.961  -1.281  -1.118  0.00  0.00    +0.125 A 
ATOM      5  N   LIG    1       -5.142  -1.937  -1.496  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -6.267  -1.346  -1.212  0.00  0.00    +0.171 A 
ATOM      7  C   LIG    1       -6.340   0.017  -0.559  0.00  0.00    +0.282 A 
ATOM      8  O   LIG    1       -7.455   0.500  -0.402  0.00  0.00    -0.265 OA
ATOM      9  C   LIG    1       -2.732  -1.855  -1.351  0.00  0.00    +0.145 A 
ATOM     10  N   LIG    1       -5.135   0.620  -0.215  0.00  0.00    -0.287 N 
ATOM     11  N   LIG    1       -1.556  -1.290  -1.013  0.00  0.00    -0.220 NA
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1       -5.109   1.927   0.451  0.00  0.00    +0.092 C 
ATOM     13  C   LIG    1       -5.840   3.046  -0.320  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -6.879   3.610   0.644  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -6.320   3.300   2.022  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -5.741   1.905   1.853  0.00  0.00    +0.025 C 
ENDBRANCH  10  12
BRANCH   6  17
ATOM     17  C   LIG    1       -7.532  -2.075  -1.587  0.00  0.00    +0.183 C 
ATOM     18  O   LIG    1       -7.951  -2.961  -0.855  0.00  0.00    -0.291 OA
ATOM     19  C   LIG    1       -8.182  -1.639  -2.863  0.00  0.00    +0.093 C 
ENDBRANCH   6  17
BRANCH   1  20
ATOM     20  N   LIG    1       -0.445   0.575  -0.017  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1       -0.700   1.445   0.426  0.00  0.00    +0.155 HD
BRANCH  20  25
ATOM     22  C   LIG    1        3.749  -0.203  -0.132  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        2.833  -1.129  -0.642  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        1.448  -0.895  -0.609  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        0.921   0.279  -0.073  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        1.833   1.219   0.421  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        3.215   0.983   0.389  0.00  0.00    +0.025 A 
BRANCH  22  31
ATOM     28  N   LIG    1        7.869  -1.427   0.259  0.00  0.00    -0.300 NA
ATOM     29  C   LIG    1        7.297  -0.352   1.105  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1        5.752  -0.403   1.201  0.00  0.00    +0.120 C 
ATOM     31  N   LIG    1        5.140  -0.388  -0.149  0.00  0.00    -0.327 N 
ATOM     32  C   LIG    1        5.685  -1.459  -1.007  0.00  0.00    +0.120 C 
ATOM     33  C   LIG    1        7.226  -1.364  -1.077  0.00  0.00    +0.103 C 
BRANCH  28  35
ATOM     34  C   LIG    1       10.073  -1.591   1.418  0.00  0.00    +0.020 C 
ATOM     35  C   LIG    1        9.328  -1.305   0.119  0.00  0.00    +0.081 C 
ENDBRANCH  28  35
ENDBRANCH  22  31
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 6