REMARK  Name = BDB011135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.089   0.677   0.096  0.00  0.00    +0.221 A 
ATOM      2  C   LIG    1       -0.793   1.513  -0.764  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -1.774   2.328  -0.186  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.010   2.285   1.194  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -1.238   1.398   1.969  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -1.467   1.352   3.339  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -2.427   2.163   3.951  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.179   3.048   3.182  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.978   3.104   1.804  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -0.298   0.608   1.429  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -0.526   1.510  -2.252  0.00  0.00    +0.161 C 
BRANCH  11  12
ATOM     12  O   LIG    1       -0.860   2.781  -2.829  0.00  0.00    -0.386 OA
ATOM     13  H   LIG    1       -1.706   2.676  -3.299  0.00  0.00    +0.210 HD
ENDBRANCH  11  12
BRANCH  11  14
ATOM     14  C   LIG    1       -1.208   0.345  -3.005  0.00  0.00    +0.125 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.677   0.400  -2.912  0.00  0.00    -0.099 C 
ATOM     16  C   LIG    1       -3.869   0.492  -2.789  0.00  0.00    -0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.316   0.621  -2.569  0.00  0.00    +0.089 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -5.964  -0.706  -2.166  0.00  0.00    +0.024 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.400  -1.342  -0.890  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.694  -0.552   0.366  0.00  0.00    +0.307 C 
ATOM     21  O   LIG    1       -6.284   0.519   0.417  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -5.205  -1.234   1.445  0.00  0.00    -0.468 OA
ATOM     23  C   LIG    1       -5.429  -0.592   2.704  0.00  0.00    +0.280 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   2  11
BRANCH   1  24
ATOM     24  O   LIG    1        0.868  -0.151  -0.469  0.00  0.00    -0.476 OA
BRANCH  24  25
ATOM     25  C   LIG    1        1.782  -0.748   0.459  0.00  0.00    +0.231 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.885   0.246   0.843  0.00  0.00    +0.041 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.941  -0.342   1.782  0.00  0.00    +0.003 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.220  -0.808   1.080  0.00  0.00    +0.000 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.027  -2.038   0.189  0.00  0.00    -0.000 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.349  -2.609  -0.335  0.00  0.00    -0.000 C 
BRANCH  30  32
ATOM     31  C   LIG    1        8.320  -2.313  -1.881  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        7.049  -1.681  -1.330  0.00  0.00    -0.003 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 17