REMARK  Name = BDB046722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.122  -0.329  -1.271  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -2.616  -1.503  -0.706  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.238  -1.678  -0.560  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.342  -0.691  -0.977  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.841   0.481  -1.541  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.222   0.660  -1.689  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.612  -0.123  -1.421  0.00  0.00    +0.061 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.185   0.884  -0.419  0.00  0.00    +0.210 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.195   0.424   1.018  0.00  0.00    +0.321 C 
ATOM     10  O   LIG    1       -5.184   1.203   1.965  0.00  0.00    -0.250 OA
BRANCH   9  12
ATOM     11  C   LIG    1       -5.305  -1.395   2.489  0.00  0.00    +0.280 C 
ATOM     12  O   LIG    1       -5.276  -0.928   1.139  0.00  0.00    -0.467 OA
ENDBRANCH   9  12
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1       -6.552   1.299  -0.886  0.00  0.00    +0.321 C 
ATOM     14  O   LIG    1       -6.733   2.156  -1.744  0.00  0.00    -0.250 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.542   0.565  -0.311  0.00  0.00    -0.467 OA
ATOM     16  C   LIG    1       -8.859   0.911  -0.744  0.00  0.00    +0.280 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1        0.972  -1.000  -0.767  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.982  -0.087  -1.206  0.00  0.00    +0.270 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.275   0.981  -0.148  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.893   0.417   1.012  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.254   0.292   1.049  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        5.144   0.578   0.012  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        6.531   0.401   0.182  0.00  0.00    -0.014 A 
ATOM     24  C   LIG    1        7.027  -0.075   1.417  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        8.410  -0.251   1.584  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        9.296   0.038   0.546  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        8.811   0.505  -0.672  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.125  -0.362   2.449  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        7.438   0.685  -0.853  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        4.753  -0.181   2.262  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 11