REMARK  Name = BDB055600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.640   0.906  -2.551  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        1.072   0.580  -1.150  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        0.158   0.345  -0.110  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        0.612   0.131   1.201  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -0.320  -0.048   2.363  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        1.996   0.042   1.437  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        2.932   0.209   0.406  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        2.448   0.485  -0.880  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.377   0.110   0.669  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1        4.989   0.895   1.661  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        6.361   0.801   1.910  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        7.144  -0.082   1.171  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        6.558  -0.869   0.183  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.186  -0.773  -0.065  0.00  0.00    +0.008 A 
ENDBRANCH   7   9
BRANCH   3  15
ATOM     15  O   LIG    1       -1.193   0.396  -0.367  0.00  0.00    -0.477 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -1.733  -0.915  -0.639  0.00  0.00    +0.285 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.147  -1.029  -2.105  0.00  0.00    +0.346 C 
ATOM     18  O   LIG    1       -2.241  -2.088  -2.709  0.00  0.00    -0.247 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -2.445   0.163  -2.678  0.00  0.00    -0.478 OA
ATOM     20  H   LIG    1       -2.360   0.886  -2.018  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
BRANCH  16  21
ATOM     21  C   LIG    1       -2.958  -1.199   0.248  0.00  0.00    +0.091 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.115  -0.242   0.057  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1       -5.188  -0.586  -0.777  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.244   0.304  -0.977  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.239   1.546  -0.345  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.179   1.898   0.488  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.122   1.009   0.688  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 7