REMARK  Name = BDB051018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.421   0.068   1.095  0.00  0.00    +0.213 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        0.938  -0.410   1.196  0.00  0.00    -0.215 N 
ATOM      3  C   LIG    1        1.956  -0.014   0.369  0.00  0.00    +0.251 C 
ATOM      4  O   LIG    1        1.880   0.855  -0.489  0.00  0.00    -0.272 OA
ATOM      5  C   LIG    1        3.187  -0.855   0.715  0.00  0.00    +0.138 C 
ATOM      6  C   LIG    1        4.415  -0.096   1.122  0.00  0.00    -0.012 A 
ATOM      7  C   LIG    1        5.556  -0.686   0.559  0.00  0.00    -0.042 A 
ATOM      8  C   LIG    1        6.822  -0.188   0.818  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        6.938   0.930   1.646  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        5.799   1.523   2.211  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        5.195  -1.888  -0.258  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        4.526   1.008   1.955  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        3.690  -1.677  -0.482  0.00  0.00    +0.045 C 
ATOM     14  N   LIG    1        2.672  -1.667   1.785  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        3.199  -2.330   2.336  0.00  0.00    +0.152 HD
ATOM     16  C   LIG    1        1.348  -1.399   2.036  0.00  0.00    +0.310 C 
ATOM     17  O   LIG    1        0.688  -1.957   2.896  0.00  0.00    -0.252 OA
ENDBRANCH   1   2
BRANCH   1  19
ATOM     18  N   LIG    1       -2.446  -0.311  -0.342  0.00  0.00    -0.293 N 
ATOM     19  C   LIG    1       -1.159  -0.734   0.010  0.00  0.00    +0.234 C 
ATOM     20  O   LIG    1       -0.625  -1.712  -0.522  0.00  0.00    -0.274 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -3.940  -0.310  -2.375  0.00  0.00    +0.028 C 
ATOM     22  C   LIG    1       -3.202  -1.127  -1.313  0.00  0.00    +0.076 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.166  -2.027  -0.568  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -4.476  -3.409  -1.090  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.669  -3.248   0.168  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  18  22
BRANCH  18  26
ATOM     26  C   LIG    1       -3.120   0.820   0.305  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.928   2.164  -0.368  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -1.897   2.430  -1.282  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -1.751   3.701  -1.843  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.628   4.725  -1.497  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.652   4.482  -0.586  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.798   3.212  -0.023  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  18  26
ENDBRANCH   1  19
TORSDOF 6