REMARK  Name = BDB047502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.996   0.063   1.244  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.600  -0.461   1.036  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.705   0.157   1.918  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.359  -0.187   1.952  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.899  -1.173   1.078  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.805  -1.809   0.212  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.408   1.128   2.814  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -3.160  -1.468   0.194  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.719   1.355   2.052  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.900   0.301   0.017  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -4.535   2.094  -1.257  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -5.254   0.757  -1.308  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -6.693  -0.966  -0.241  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -6.450  -1.838  -1.058  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.766  -1.074   0.569  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -8.177  -1.925   0.305  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.389  -1.616   0.961  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.409  -1.015   1.764  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.913   0.300   1.168  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.724   0.094  -0.062  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        2.318  -0.052  -1.371  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1        1.017  -0.079  -2.061  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        3.435  -0.218  -2.141  0.00  0.00    -0.444 OA
ATOM     24  C   LIG    1        4.469  -0.162  -1.247  0.00  0.00    +0.199 A 
ATOM     25  N   LIG    1        4.098   0.027   0.004  0.00  0.00    -0.218 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.841  -0.314  -1.810  0.00  0.00    +0.075 C 
ATOM     27  C   LIG    1        6.652   0.986  -1.664  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1        7.934   0.602  -0.930  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1        7.543  -0.616  -0.112  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1        6.644  -1.390  -1.066  0.00  0.00    +0.013 C 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9