REMARK  Name = BDB047312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.018  -1.443  -1.302  0.00  0.00    -0.472 OA
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.338  -1.580  -0.642  0.00  0.00    -0.005 A 
ATOM      3  C   LIG    1       -1.200  -0.821  -0.973  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.277   0.580  -1.078  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -0.111   1.422  -1.520  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.476   1.231  -0.737  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -3.606   0.500  -0.366  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -3.530  -0.899  -0.336  0.00  0.00    +0.018 A 
BRANCH   7   9
ATOM      9  C   LIG    1       -4.908   1.142  -0.008  0.00  0.00    +0.163 C 
ATOM     10  O   LIG    1       -5.798   0.458   0.497  0.00  0.00    -0.292 OA
BRANCH   9  11
ATOM     11  C   LIG    1       -5.120   2.622  -0.253  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1       -4.747   3.435   0.972  0.00  0.00    +0.012 C 
ENDBRANCH   9  11
ENDBRANCH   7   9
BRANCH   2  13
ATOM     13  C   LIG    1       -2.363  -3.093  -0.651  0.00  0.00    +0.038 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -3.347  -3.626   1.655  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -2.160  -3.762   0.713  0.00  0.00    +0.001 C 
ENDBRANCH  13  15
ENDBRANCH   2  13
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        0.782  -1.745  -0.131  0.00  0.00    +0.311 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.968  -0.802  -0.041  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        2.213  -0.095   1.143  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        3.300   0.778   1.240  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        4.171   0.963   0.159  0.00  0.00    -0.045 A 
ATOM     21  C   LIG    1        3.930   0.248  -1.023  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        2.844  -0.625  -1.122  0.00  0.00    +0.008 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.360   1.904   0.243  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        6.358   1.456   1.313  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1        4.917   3.349   0.481  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH  16  17
BRANCH  16  26
ATOM     26  C   LIG    1        1.258  -3.202  -0.258  0.00  0.00    +0.351 C 
ATOM     27  O   LIG    1        1.774  -3.849   0.644  0.00  0.00    -0.246 OA
BRANCH  26  28
ATOM     28  O   LIG    1        1.059  -3.726  -1.498  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1        0.617  -3.060  -2.070  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  16  26
ENDBRANCH   1  16
TORSDOF 10