REMARK  Name = BDB023599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.324   0.497  -0.793  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -4.694   0.046   0.481  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -3.820   1.225   0.935  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -3.691   1.178   2.452  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -4.453   1.771   3.213  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -2.733   0.340   2.959  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -2.744   0.216   3.964  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -1.713  -0.237   2.201  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -1.546   0.136   0.866  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -0.502  -0.428   0.120  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        0.370  -1.373   0.689  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1        0.178  -1.725   2.035  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.851  -1.157   2.791  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -2.431   1.203   0.277  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -4.654   2.419   0.455  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -5.213   1.974  -0.890  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        1.462  -1.967  -0.101  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        2.392  -1.157  -0.773  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        3.434  -1.727  -1.513  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1        3.539  -3.112  -1.626  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        2.626  -3.931  -0.968  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.599  -3.362  -0.208  0.00  0.00    +0.009 A 
BRANCH  19  23
ATOM     23  O   LIG    1        4.348  -0.973  -2.214  0.00  0.00    -0.456 OA
BRANCH  23  24
ATOM     24  C   LIG    1        4.922   0.094  -1.561  0.00  0.00    +0.128 A 
ATOM     25  C   LIG    1        5.469  -0.010  -0.279  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        6.068   1.103   0.311  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.134   2.312  -0.385  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.608   2.407  -1.674  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        5.009   1.295  -2.266  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  31
ATOM     30  N   LIG    1       -6.865  -0.898  -2.173  0.00  0.00    -0.174 NA
ATOM     31  C   LIG    1       -6.150  -0.251  -1.534  0.00  0.00    +0.169 C 
ENDBRANCH   1  31
TORSDOF 4