REMARK  Name = BDB029477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.439   0.362   0.976  0.00  0.00    -0.309 N 
ATOM      2  C   LIG    1       -1.382   0.485  -0.130  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1       -2.735   0.019   0.445  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -2.980  -1.437   0.056  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -2.852  -2.382   0.830  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.392  -1.652  -1.236  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -3.559  -2.626  -1.456  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -4.194  -0.794  -1.942  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.925  -1.202  -2.840  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.109   0.666  -1.567  0.00  0.00    +0.097 C 
ATOM     11  C   LIG    1       -3.925   0.838  -0.065  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1       -2.545   0.179   1.960  0.00  0.00    +0.036 C 
ATOM     13  C   LIG    1       -1.070  -0.152   2.178  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1  19
ATOM     14  C   LIG    1        5.559  -0.019  -0.168  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        4.717  -0.156   0.943  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        3.332   0.025   0.774  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1        2.781   0.380  -0.454  0.00  0.00    +0.080 A 
ATOM     18  N   LIG    1        1.405   0.520  -0.467  0.00  0.00    -0.225 NA
ATOM     19  C   LIG    1        0.894   0.282   0.722  0.00  0.00    +0.162 A 
ATOM     20  C   LIG    1        3.643   0.576  -1.548  0.00  0.00    +0.031 A 
ATOM     21  S   LIG    1        2.069  -0.113   1.928  0.00  0.00    -0.052 S 
ATOM     22  C   LIG    1        5.023   0.395  -1.387  0.00  0.00    +0.025 A 
BRANCH  14  23
ATOM     23  N   LIG    1        6.948  -0.082   0.000  0.00  0.00    -0.358 N 
ATOM     24  H   LIG    1        7.246  -0.669   0.774  0.00  0.00    +0.142 HD
ATOM     25  H   LIG    1        7.459  -0.283  -0.854  0.00  0.00    +0.142 HD
ENDBRANCH  14  23
ENDBRANCH   1  19
TORSDOF 2