REMARK  Name = BDB015116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.730  -0.245   0.100  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        0.524   0.282  -0.394  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.387  -0.506  -1.109  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -0.095  -1.849  -1.335  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.097  -2.394  -0.854  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.000  -1.600  -0.145  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.956   1.442   1.203  0.00  0.00    -0.021 A 
ATOM      8  C   LIG    1        4.035   0.656   0.489  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        2.678   0.595   0.851  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        2.256   1.357   1.952  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        3.157   2.151   2.664  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.499   2.197   2.290  0.00  0.00    +0.006 A 
BRANCH   7  13
ATOM     13  C   LIG    1        6.400   1.520   0.768  0.00  0.00    +0.195 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.875   0.209   0.476  0.00  0.00    -0.370 OA
BRANCH  14  16
ATOM     15  C   LIG    1        9.258   0.796   0.654  0.00  0.00    +0.041 C 
ATOM     16  C   LIG    1        8.157   0.106  -0.158  0.00  0.00    +0.062 C 
ATOM     17  C   LIG    1        8.109   0.652  -1.590  0.00  0.00    +0.041 C 
ATOM     18  C   LIG    1        8.453  -1.399  -0.216  0.00  0.00    +0.041 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  O   LIG    1       -1.509   0.160  -1.516  0.00  0.00    -0.489 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.482  -0.544  -2.284  0.00  0.00    +0.261 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.484  -1.326  -1.415  0.00  0.00    +0.166 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.368  -2.035  -2.298  0.00  0.00    -0.387 OA
ATOM     23  H   LIG    1       -4.934  -1.378  -2.739  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -4.272  -0.380  -0.469  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.945  -1.048   0.666  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.570  -0.063   1.570  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.890   0.497   1.081  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.679  -0.215   0.159  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.914   0.306  -0.249  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.374   1.516   0.270  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.603   2.215   1.196  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.171  -1.505  -0.439  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -7.369   1.707   1.603  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.945  -2.061   0.300  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 10