REMARK  Name = BDB062922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.257  -2.405   0.824  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -0.789  -1.368   0.672  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.775  -0.486  -0.392  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1        0.159  -0.536  -1.204  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.928  -1.677   1.524  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -1.838  -3.178   1.727  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.340  -3.405   1.829  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.912   0.564  -0.558  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -1.444   1.671  -1.543  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -2.264   2.899  -1.174  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -2.405   2.829   0.338  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -2.054   1.394   0.743  0.00  0.00    +0.021 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.191  -0.078  -1.125  0.00  0.00    -0.032 A 
ATOM     14  C   LIG    1       -4.476   0.225  -0.642  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -5.613  -0.379  -1.187  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.490  -1.293  -2.229  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.231  -1.599  -2.733  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.095  -0.994  -2.191  0.00  0.00    +0.004 A 
ENDBRANCH   8  13
ENDBRANCH   3   8
BRANCH   1  21
ATOM     19  N   LIG    1        2.168  -0.900   0.496  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        1.620  -0.681  -0.337  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        1.635  -1.877   1.317  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1        2.205  -2.374   2.286  0.00  0.00    -0.273 OA
BRANCH  19  26
ATOM     23  C   LIG    1        5.763   1.300   0.774  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        4.896   1.457  -0.305  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        3.711   0.713  -0.367  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        3.379  -0.198   0.642  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        4.245  -0.347   1.723  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        5.427   0.400   1.786  0.00  0.00    +0.047 A 
BRANCH  23  30
ATOM     29  C   LIG    1        7.390   2.794  -0.102  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        6.945   1.960   0.961  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 5