REMARK  Name = BDB011143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.900   1.553   0.956  0.00  0.00    +0.221 A 
ATOM      2  C   LIG    1       -0.577   1.305   2.286  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -0.505   2.419   3.132  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -0.760   3.705   2.642  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -1.083   3.837   1.278  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -1.338   5.111   0.785  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -1.279   6.242   1.605  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.960   6.106   2.951  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.701   4.840   3.471  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -1.151   2.783   0.450  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -0.952   0.467   0.103  0.00  0.00    -0.476 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -1.390   0.791  -1.217  0.00  0.00    +0.231 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.344  -0.475  -2.075  0.00  0.00    +0.041 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.247  -1.584  -1.528  0.00  0.00    +0.003 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -0.973  -3.545  -2.549  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -2.304  -2.816  -2.433  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   2  17
ATOM     17  C   LIG    1       -0.291  -0.088   2.795  0.00  0.00    +0.161 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.806  -0.200   4.133  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1       -0.833  -1.149   4.343  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        1.212  -0.420   2.817  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.728  -0.811   1.497  0.00  0.00    -0.097 C 
ATOM     22  C   LIG    1        2.146  -1.148   0.422  0.00  0.00    -0.074 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.637  -1.560  -0.895  0.00  0.00    +0.248 C 
BRANCH  23  24
ATOM     24  O   LIG    1        3.636  -2.563  -0.728  0.00  0.00    -0.356 OA
BRANCH  24  25
ATOM     25  C   LIG    1        4.158  -3.017  -1.967  0.00  0.00    +0.281 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.228  -3.846  -2.847  0.00  0.00    +0.331 C 
ATOM     27  O   LIG    1        3.235  -3.870  -4.068  0.00  0.00    -0.248 OA
BRANCH  26  28
ATOM     28  O   LIG    1        2.370  -4.621  -2.155  0.00  0.00    -0.479 OA
ATOM     29  H   LIG    1        1.867  -5.108  -2.840  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 14