REMARK  Name = BDB047507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.411  -0.931  -0.226  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.106  -0.556   0.429  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.123  -1.508   0.139  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.848  -1.405   0.670  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.543  -0.323   1.501  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.532   0.627   1.800  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.664  -2.601  -0.727  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.823   0.509   1.270  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.922  -1.932  -1.300  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.298   0.219  -0.736  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -7.609   0.781  -1.655  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -6.580  -0.314  -1.403  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -4.557   1.133  -1.691  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -4.303   0.921  -2.865  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -4.194   2.299  -1.119  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -3.711   2.765  -1.833  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.743  -0.315   1.969  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.163   0.833   2.707  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.643   0.693   3.065  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.555   0.820   1.894  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.804   1.903   1.076  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        3.308   3.287   0.995  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.730   1.524   0.146  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.011   0.218   0.455  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.344  -0.238   1.499  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.989  -0.465  -0.387  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.313  -1.805  -0.123  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        7.245  -2.486  -0.911  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        7.865  -1.835  -1.974  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.555  -0.505  -2.251  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.623   0.176  -1.462  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9