REMARK  Name = BDB007945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.690  -1.842   0.244  0.00  0.00    +0.180 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.364   0.973  -0.726  0.00  0.00    +0.063 C 
ATOM      3  C   LIG    1        1.740   1.017   0.675  0.00  0.00    +0.027 C 
ATOM      4  C   LIG    1        1.022  -0.287   1.039  0.00  0.00    +0.085 C 
ATOM      5  N   LIG    1        0.247  -0.749  -0.117  0.00  0.00    -0.294 NA
ATOM      6  C   LIG    1        1.119  -1.171  -1.228  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1        2.475  -0.453  -1.265  0.00  0.00    +0.027 C 
BRANCH   2   8
ATOM      8  C   LIG    1        3.647   1.794  -0.807  0.00  0.00    +0.166 C 
ATOM      9  O   LIG    1        3.608   2.974  -1.165  0.00  0.00    -0.292 OA
BRANCH   8  13
ATOM     10  C   LIG    1        7.549   0.234   0.116  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        7.376   1.198  -0.876  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        6.096   1.690  -1.158  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.977   1.217  -0.460  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        5.155   0.265   0.546  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        6.435  -0.225   0.824  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1        9.905   0.121  -0.181  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        8.736  -0.331   0.491  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   8  13
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1       -1.895  -1.299   1.022  0.00  0.00    +0.227 C 
ATOM     19  N   LIG    1       -2.286  -0.035   0.646  0.00  0.00    -0.307 N 
ATOM     20  H   LIG    1       -1.632   0.465   0.048  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -2.510  -1.960   1.856  0.00  0.00    -0.274 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.312   0.701   1.356  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.697   0.272   0.894  0.00  0.00    +0.127 A 
ATOM     24  N   LIG    1       -5.061  -1.017   1.220  0.00  0.00    -0.309 N 
ATOM     25  H   LIG    1       -4.385  -1.630   1.669  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -6.254  -1.571   0.843  0.00  0.00    +0.255 A 
ATOM     27  O   LIG    1       -6.570  -2.733   1.061  0.00  0.00    -0.268 OA
ATOM     28  C   LIG    1       -7.128  -0.640   0.138  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1       -8.490  -0.896  -0.377  0.00  0.00    +0.043 C 
ATOM     30  C   LIG    1       -8.966   0.524  -0.708  0.00  0.00    +0.011 C 
ATOM     31  C   LIG    1       -7.707   1.393  -0.846  0.00  0.00    +0.056 C 
ATOM     32  C   LIG    1       -6.686   0.594  -0.107  0.00  0.00    +0.052 A 
ATOM     33  N   LIG    1       -5.468   1.094   0.245  0.00  0.00    -0.237 NA
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   1  18
TORSDOF 7