REMARK  Name = BDB045136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.715   1.076   0.383  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.190   0.805  -0.881  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.178   0.544  -1.034  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        1.023   0.558   0.078  0.00  0.00    -0.004 A 
ATOM      5  C   LIG    1        0.506   0.836   1.343  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.859   1.096   1.489  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.458   0.281  -0.113  0.00  0.00    +0.160 C 
ATOM      8  N   LIG    1        3.296   0.280   0.874  0.00  0.00    -0.092 NA
BRANCH   8   9
ATOM      9  O   LIG    1        4.575  -0.017   0.372  0.00  0.00    -0.389 OA
BRANCH   9  10
ATOM     10  C   LIG    1        5.506  -0.018   1.454  0.00  0.00    +0.298 C 
BRANCH  10  11
ATOM     11  C   LIG    1        6.875  -0.336   0.913  0.00  0.00    -0.008 A 
ATOM     12  C   LIG    1        7.717   0.689   0.459  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        8.980   0.392  -0.056  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        9.410  -0.932  -0.131  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        8.576  -1.960   0.305  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.313  -1.665   0.821  0.00  0.00    +0.007 A 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  O   LIG    1       -3.018   1.361   0.682  0.00  0.00    -0.477 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -4.066   1.147  -0.276  0.00  0.00    +0.285 C 
BRANCH  18  20
ATOM     19  O   LIG    1       -4.421   1.925  -2.576  0.00  0.00    -0.247 OA
ATOM     20  C   LIG    1       -4.025   2.143  -1.441  0.00  0.00    +0.346 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.499   3.342  -1.080  0.00  0.00    -0.478 OA
ATOM     22  H   LIG    1       -3.183   3.325  -0.151  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
BRANCH  18  23
ATOM     23  C   LIG    1       -4.195  -0.325  -0.709  0.00  0.00    +0.091 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.627  -0.810  -0.672  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1       -6.142  -1.408   0.487  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.470  -1.835   0.531  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -8.296  -1.663  -0.579  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.795  -1.065  -1.733  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.467  -0.639  -1.780  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10