REMARK  Name = BDB014998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.205   0.119   3.018  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.057   0.923   4.199  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1       -1.902   1.409   4.281  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -2.650  -0.420   2.973  0.00  0.00    +0.119 C 
BRANCH   4  10
ATOM      5  C   LIG    1       -5.607  -0.345  -1.568  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1       -4.687   0.707  -1.744  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1       -4.082   1.291  -0.626  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -4.369   0.832   0.669  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -3.731   1.506   1.865  0.00  0.00    +0.120 C 
ATOM     10  N   LIG    1       -3.657   0.664   3.077  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -5.005   0.128   3.350  0.00  0.00    +0.089 C 
ATOM     12  C   LIG    1       -5.584  -0.747   2.225  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1       -5.295  -0.208   0.844  0.00  0.00    -0.038 A 
ATOM     14  C   LIG    1       -5.902  -0.796  -0.276  0.00  0.00    +0.053 A 
BRANCH   5  16
ATOM     15  C   LIG    1       -7.133  -1.884  -2.576  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -6.152  -0.867  -2.715  0.00  0.00    -0.491 OA
ENDBRANCH   5  16
BRANCH   6  17
ATOM     17  O   LIG    1       -4.450   1.089  -3.042  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -3.527   2.146  -3.262  0.00  0.00    +0.277 C 
ENDBRANCH   6  17
ENDBRANCH   4  10
ENDBRANCH   1   4
BRANCH   1  19
ATOM     19  C   LIG    1       -0.193  -1.037   3.039  0.00  0.00    +0.261 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.114  -0.595   2.655  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1        1.418  -0.528   1.323  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        2.735  -0.145   1.050  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        3.198  -0.017  -0.269  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        2.320  -0.296  -1.323  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        1.004  -0.677  -1.059  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        0.553  -0.790   0.260  0.00  0.00    +0.045 A 
BRANCH  23  27
ATOM     27  C   LIG    1        4.630   0.383  -0.540  0.00  0.00    +0.116 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.524  -0.753  -0.345  0.00  0.00    -0.309 NA
ATOM     29  H   LIG    1        5.143  -1.563  -0.833  0.00  0.00    +0.123 HD
BRANCH  28  30
ATOM     30  C   LIG    1        6.910  -0.549  -0.743  0.00  0.00    +0.054 C 
ATOM     31  C   LIG    1        7.596   0.740  -0.294  0.00  0.00    +0.019 C 
ATOM     32  C   LIG    1        8.898   0.727  -1.088  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1        8.575   0.010  -2.401  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1        7.160  -0.551  -2.252  0.00  0.00    +0.019 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 11