REMARK  Name = BDB055163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.357  -0.546   0.386  0.00  0.00    +0.046 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.327   0.633   0.410  0.00  0.00    +0.038 C 
BRANCH   2   6
ATOM      3  C   LIG    1       -5.408  -0.668  -0.082  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -4.640  -0.356  -1.199  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -3.321   0.077  -1.038  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.757   0.185   0.240  0.00  0.00    -0.047 A 
ATOM      7  C   LIG    1       -3.527  -0.170   1.355  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -4.844  -0.604   1.192  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -6.692  -1.123  -0.171  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -9.018  -0.783  -0.142  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -7.686  -0.185  -0.630  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -7.532   1.214  -0.004  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -7.794  -0.115  -2.165  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -7.339  -0.906  -2.977  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -8.530   0.927  -2.612  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -8.527   0.811  -3.586  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.086  -0.081   0.556  0.00  0.00    +0.229 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.925  -1.236   0.526  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.271  -1.034   0.660  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        3.904   0.200   0.827  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        5.296   0.264   0.952  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        6.058  -0.905   0.893  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1        5.430  -2.140   0.750  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        4.040  -2.200   0.625  0.00  0.00    +0.049 A 
BRANCH  22  25
ATOM     25  O   LIG    1        7.425  -0.911   1.044  0.00  0.00    -0.456 OA
BRANCH  25  26
ATOM     26  C   LIG    1        8.145   0.004   0.310  0.00  0.00    +0.128 A 
ATOM     27  C   LIG    1        9.149   0.704   0.979  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        9.938   1.623   0.285  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        9.730   1.828  -1.079  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.741   1.110  -1.753  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.952   0.191  -1.061  0.00  0.00    +0.046 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11