REMARK  Name = BDB008546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.633  -1.600  -0.637  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -2.336  -2.909  -0.247  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        2.048  -0.569  -0.442  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        0.738  -0.761  -0.890  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.216  -1.430  -0.105  0.00  0.00    -0.020 A 
ATOM      6  C   LIG    1        0.183  -1.891   1.157  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        1.490  -1.705   1.619  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        2.424  -1.046   0.815  0.00  0.00    +0.091 A 
BRANCH   7   9
ATOM      9  O   LIG    1        1.727  -2.218   2.867  0.00  0.00    -0.495 OA
ATOM     10  C   LIG    1        3.002  -1.968   3.441  0.00  0.00    +0.277 C 
ENDBRANCH   7   9
BRANCH   3  11
ATOM     11  O   LIG    1        2.854   0.095  -1.327  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.201   0.344  -0.927  0.00  0.00    +0.231 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.891   1.099  -2.058  0.00  0.00    +0.069 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.351   1.383  -1.728  0.00  0.00    +0.163 C 
BRANCH  14  16
ATOM     15  C   LIG    1        7.331   1.505  -3.895  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1        6.962   2.210  -2.717  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   3  11
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  N   LIG    1       -2.465  -0.393  -0.403  0.00  0.00    -0.289 N 
ATOM     18  C   LIG    1       -2.868  -0.087   0.909  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -2.713  -0.875   1.847  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -3.555   1.285   1.156  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1       -3.280   1.888   2.428  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1       -3.911   1.235   3.539  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -5.306   0.673   3.219  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1       -5.934   1.385   2.095  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -5.894   2.383   2.318  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -5.082   1.170   0.905  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1       -2.506   0.579  -1.477  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -2.780   0.199  -2.914  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -3.801   0.969  -2.145  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 10