REMARK  Name = BDB014991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.276  -0.174   2.580  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.659  -0.557   2.040  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1        2.537  -0.838   3.138  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1        3.437  -0.702   2.771  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1        2.270   0.570   1.179  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  N   LIG    1        3.688   0.285   0.847  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1        4.347   1.532   0.396  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1        5.757   1.325  -0.115  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        6.187   0.061  -0.554  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1        7.487  -0.099  -1.053  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        8.347   0.995  -1.140  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        7.918   2.253  -0.724  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.272  -1.129  -0.427  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        6.629   2.419  -0.217  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.804  -0.728  -0.219  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -0.645   0.136   1.534  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.293  -0.890   0.905  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -2.124  -0.487  -0.145  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -2.856  -1.421  -0.893  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -2.746  -2.779  -0.569  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -1.920  -3.187   0.478  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -1.196  -2.245   1.215  0.00  0.00    +0.045 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.762  -0.969  -2.014  0.00  0.00    +0.116 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.184  -1.008  -1.670  0.00  0.00    -0.309 NA
ATOM     25  H   LIG    1       -5.404  -1.927  -1.290  0.00  0.00    +0.123 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -5.598   0.016  -0.717  0.00  0.00    +0.054 C 
ATOM     27  C   LIG    1       -7.089  -0.108  -0.396  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -7.433   1.226   0.256  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -6.436   2.238  -0.311  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -5.514   1.450  -1.239  0.00  0.00    +0.019 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9