REMARK  Name = BDB060846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.272  -0.921  -0.541  0.00  0.00    +0.184 A 
ATOM      2  N   LIG    1        1.730  -2.156  -0.686  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        2.192  -3.025  -0.924  0.00  0.00    +0.191 HD
ATOM      4  N   LIG    1        0.405  -2.132  -0.467  0.00  0.00    -0.152 NA
ATOM      5  C   LIG    1        0.194  -0.832  -0.188  0.00  0.00    +0.182 A 
ATOM      6  N   LIG    1        1.340  -0.059  -0.228  0.00  0.00    -0.201 NA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.114  -0.265   0.130  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -2.262  -1.071   0.164  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -3.510  -0.521   0.469  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.624   0.840   0.744  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -2.492   1.653   0.714  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -1.244   1.103   0.409  0.00  0.00    +0.011 A 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     13  C   LIG    1        4.048   1.123  -0.442  0.00  0.00    +0.093 C 
ATOM     14  S   LIG    1        3.955  -0.654  -0.762  0.00  0.00    -0.090 S 
ENDBRANCH   1  14
TORSDOF 2