REMARK  Name = BDB014994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.467  -1.257   2.402  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        4.036  -0.987   0.257  0.00  0.00    +0.000 A 
ATOM      3  C   LIG    1        3.031  -1.833  -0.222  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        1.817  -1.955   0.463  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.599  -1.242   1.639  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.604  -0.396   2.117  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.818  -0.271   1.437  0.00  0.00    +0.013 A 
BRANCH   2   9
ATOM      8  N   LIG    1        5.687   0.240  -1.198  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1        5.293  -0.860  -0.465  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1        6.326  -1.770  -0.594  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        7.293  -1.126  -1.381  0.00  0.00    +0.135 A 
ATOM     12  N   LIG    1        6.916   0.099  -1.746  0.00  0.00    -0.179 NA
BRANCH   8  14
ATOM     13  C   LIG    1        4.753   1.739  -2.933  0.00  0.00    +0.032 C 
ATOM     14  C   LIG    1        4.937   1.472  -1.438  0.00  0.00    +0.102 C 
ATOM     15  C   LIG    1        5.594   2.661  -0.738  0.00  0.00    +0.032 C 
ENDBRANCH   8  14
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -0.524  -2.262   2.167  0.00  0.00    +0.261 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.698  -1.760   1.300  0.00  0.00    +0.166 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.328  -1.801  -0.080  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1       -2.124  -1.578  -0.589  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.158  -0.343   1.722  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.339   0.251   1.073  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.509  -0.626   0.993  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.717   0.039   0.366  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.582   1.205  -0.410  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.712   1.782  -1.004  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.966   1.191  -0.852  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -8.102   0.026  -0.101  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.234   1.870  -0.543  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -6.984  -0.549   0.504  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.073   0.926  -0.197  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8