REMARK  Name = BDB064182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.802   0.469  -0.958  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.068  -0.441  -0.005  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.695  -0.256   0.121  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.019   0.946  -0.392  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1        0.464   0.742  -0.429  0.00  0.00    +0.013 A 
ATOM      6  S   LIG    1        1.508   1.907  -1.094  0.00  0.00    -0.076 S 
ATOM      7  C   LIG    1        2.900   0.962  -0.757  0.00  0.00    +0.081 A 
ATOM      8  C   LIG    1        2.560  -0.229  -0.140  0.00  0.00    +0.083 A 
ATOM      9  C   LIG    1        1.147  -0.355   0.059  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1        0.402  -1.496   0.681  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1       -0.989  -1.040   1.148  0.00  0.00    +0.113 C 
ATOM     12  O   LIG    1       -3.683  -1.311   0.612  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   7  13
ATOM     13  N   LIG    1        4.123   1.422  -1.101  0.00  0.00    -0.352 N 
ATOM     14  H   LIG    1        4.975   1.010  -0.726  0.00  0.00    +0.143 HD
ATOM     15  H   LIG    1        4.227   2.396  -1.373  0.00  0.00    +0.143 HD
ENDBRANCH   7  13
BRANCH   8  16
ATOM     16  C   LIG    1        3.527  -1.213   0.249  0.00  0.00    +0.102 C 
ATOM     17  N   LIG    1        4.305  -2.008   0.579  0.00  0.00    -0.191 NA
ENDBRANCH   8  16
TORSDOF 2