REMARK  Name = BDB015392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.483  -1.898  -1.214  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -0.629  -0.979  -1.846  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -1.014  -0.603  -3.024  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -2.235  -1.382  -3.339  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -2.674  -2.080  -2.055  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        0.488  -0.553  -1.189  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        1.051   0.751  -1.601  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        2.088   1.239  -0.565  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        3.183   0.267  -0.383  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        2.611  -1.042   0.010  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        1.574  -1.545  -1.015  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.256   0.632   0.553  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        3.880   1.581   1.713  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        5.236   2.283   1.448  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        5.122   1.782  -0.012  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  S   LIG    1       -1.712  -2.107   0.441  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1       -0.445  -2.224   1.133  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -2.723  -3.134   0.618  0.00  0.00    -0.150 OA
BRANCH  16  22
ATOM     19  C   LIG    1       -5.905   0.896   1.554  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -4.414   0.765   1.438  0.00  0.00    -0.049 A 
ATOM     21  C   LIG    1       -3.839  -0.443   1.025  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -2.447  -0.561   0.943  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1       -1.620   0.499   1.321  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -2.190   1.698   1.745  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.579   1.830   1.803  0.00  0.00    +0.003 A 
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 4