REMARK  Name = BDB058123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.606   0.929  -1.565  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.407   1.337  -0.968  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.807   1.148  -1.637  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.832   0.589  -2.919  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.360   0.186  -3.519  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.572   0.351  -2.845  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  14
ATOM      7  N   LIG    1        4.770   0.053   0.231  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1        5.383   1.270   0.596  0.00  0.00    +0.275 A 
ATOM      9  O   LIG    1        6.439   1.347   1.218  0.00  0.00    -0.265 OA
ATOM     10  C   LIG    1        4.644   2.430   0.167  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        3.454   2.392  -0.524  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        3.043   3.718  -0.767  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        4.003   4.538  -0.206  0.00  0.00    +0.084 A 
ATOM     14  C   LIG    1        2.888   1.119  -0.856  0.00  0.00    +0.008 A 
ATOM     15  N   LIG    1        4.972   3.745   0.361  0.00  0.00    -0.356 N 
ATOM     16  H   LIG    1        5.802   4.064   0.847  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.556   0.006  -0.467  0.00  0.00    +0.098 A 
BRANCH   7  18
ATOM     18  C   LIG    1        5.417  -1.195   0.636  0.00  0.00    +0.129 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.167  -1.566   2.106  0.00  0.00    +0.048 C 
BRANCH  19  21
ATOM     20  C   LIG    1        3.312  -3.142   2.744  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        3.732  -1.919   2.396  0.00  0.00    -0.033 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   7  18
ENDBRANCH   1  14
BRANCH   3  22
ATOM     22  C   LIG    1       -2.054   1.609  -0.987  0.00  0.00    +0.247 C 
ATOM     23  N   LIG    1       -3.110   0.715  -0.852  0.00  0.00    -0.295 N 
ATOM     24  C   LIG    1       -3.002  -0.743  -0.995  0.00  0.00    +0.123 C 
ATOM     25  C   LIG    1       -3.951  -1.485  -0.035  0.00  0.00    +0.103 C 
ATOM     26  N   LIG    1       -5.375  -1.132  -0.221  0.00  0.00    -0.297 NA
ATOM     27  C   LIG    1       -5.551   0.283  -0.617  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -4.366   1.210  -0.292  0.00  0.00    +0.123 C 
ATOM     29  O   LIG    1       -2.102   2.772  -0.595  0.00  0.00    -0.270 OA
BRANCH  26  30
ATOM     30  C   LIG    1       -6.200  -1.476   0.952  0.00  0.00    +0.112 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -6.169  -2.965   1.348  0.00  0.00    +0.171 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -4.997  -3.301   2.088  0.00  0.00    -0.394 OA
ATOM     33  H   LIG    1       -4.987  -2.743   2.885  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH   3  22
TORSDOF 8