REMARK  Name = BDB015018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.291  -3.010   0.400  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.611  -2.475  -1.004  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1        1.085  -3.389  -1.983  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1        0.192  -3.627  -1.669  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1        3.126  -2.336  -1.235  0.00  0.00    +0.119 C 
BRANCH   5   8
ATOM      6  C   LIG    1        2.529   0.557   0.391  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1        3.508   0.037  -0.675  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1        3.833  -1.382  -0.348  0.00  0.00    -0.293 NA
ATOM      9  C   LIG    1        5.277  -1.678  -0.400  0.00  0.00    +0.090 C 
ATOM     10  C   LIG    1        6.102  -0.687   0.421  0.00  0.00    +0.051 C 
ATOM     11  C   LIG    1        5.930   0.681  -0.171  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1        6.976   1.611  -0.164  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        6.801   2.865  -0.749  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.582   3.194  -1.337  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        4.531   2.275  -1.329  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        4.687   1.010  -0.735  0.00  0.00    -0.027 A 
ENDBRANCH   5   8
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1       -0.137  -3.156   0.534  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.748  -2.053   1.066  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -1.757  -1.456   0.309  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -2.443  -0.337   0.801  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -2.111   0.156   2.074  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -1.123  -0.464   2.841  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -0.446  -1.576   2.341  0.00  0.00    +0.045 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -3.524   0.329  -0.019  0.00  0.00    +0.116 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.822   0.221   0.645  0.00  0.00    -0.309 NA
ATOM     26  H   LIG    1       -4.999  -0.762   0.852  0.00  0.00    +0.123 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -5.910   0.751  -0.166  0.00  0.00    +0.054 C 
ATOM     28  C   LIG    1       -7.261   0.554   0.523  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -8.194   1.501  -0.226  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -7.305   2.614  -0.783  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -5.879   2.266  -0.362  0.00  0.00    +0.019 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9