REMARK  Name = BDB016393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.638   3.043   0.009  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.151   1.644   0.366  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.053   0.704   0.205  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.430   0.966  -0.559  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.316  -0.682   0.168  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.433  -1.311   0.770  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.593  -2.707   0.647  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.653  -3.499  -0.001  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.520  -2.908  -0.533  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.466  -0.698   1.511  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.231  -1.296   1.803  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.642   0.556   1.994  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.668   0.793   2.639  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.325  -1.517  -0.450  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.604   1.613   1.809  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.077  -0.971  -1.024  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        0.937  -0.472  -0.190  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        2.124   0.056  -0.722  0.00  0.00    -0.031 A 
ATOM     19  C   LIG    1        2.298   0.065  -2.112  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        1.302  -0.429  -2.953  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        0.122  -0.943  -2.413  0.00  0.00    +0.008 A 
BRANCH  18  22
ATOM     22  C   LIG    1        3.209   0.577   0.187  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.349  -0.343   0.211  0.00  0.00    -0.190 NA
ATOM     24  H   LIG    1        4.127  -1.307   0.464  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  S   LIG    1        5.747   0.188   0.963  0.00  0.00    +0.027 S 
ATOM     26  O   LIG    1        5.386   1.192   1.938  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1        6.477  -1.004   1.330  0.00  0.00    -0.158 OA
ATOM     28  C   LIG    1        6.604   0.968  -0.388  0.00  0.00    +0.214 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH  14  16
TORSDOF 4