REMARK  Name = BDB053742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.875  -0.446   0.819  0.00  0.00    +0.046 A 
ATOM      2  N   LIG    1       -1.552  -1.523   0.238  0.00  0.00    -0.310 N 
ATOM      3  C   LIG    1       -0.657  -2.566   0.017  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        0.588  -2.150   0.476  0.00  0.00    +0.101 A 
ATOM      5  N   LIG    1        1.697  -2.932   0.425  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        1.515  -4.166  -0.080  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        0.312  -4.674  -0.534  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -0.821  -3.868  -0.486  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        0.461  -0.831   0.975  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.533  -0.027   1.545  0.00  0.00    +0.251 C 
ATOM     11  N   LIG    1        2.588   0.328   0.711  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        3.718   1.052   1.283  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.984   0.930   0.419  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.826   1.358  -0.982  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.085   2.341  -1.069  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.439   1.200  -1.458  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.627   0.107  -0.739  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        1.488   0.334   2.720  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.933  -1.577  -0.107  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -3.910  -1.243   0.836  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -5.261  -1.306   0.488  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.636  -1.703  -0.795  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.663  -2.044  -1.734  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.311  -1.987  -1.393  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  26
ATOM     25  C   LIG    1       -1.686   1.194   2.566  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -1.509   0.916   1.067  0.00  0.00    +0.064 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -0.805   2.022   0.279  0.00  0.00    -0.039 A 
ATOM     28  C   LIG    1       -1.030   2.112  -1.107  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -0.415   3.106  -1.872  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        0.435   4.025  -1.265  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        0.677   3.945   0.104  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.064   2.950   0.871  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 4