REMARK  Name = BDB016394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.350   0.808  -2.752  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.093   0.235  -1.541  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.161   0.175  -0.426  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.208  -0.024  -0.730  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.483  -0.604   0.707  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.799  -0.908   1.134  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.989  -1.711   2.277  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.921  -2.171   3.038  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.631  -1.823   2.674  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -5.010  -0.499   0.535  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.862  -0.874   0.936  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.305   0.367  -0.465  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.493   0.535  -0.757  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.390  -1.037   1.532  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.238   1.147  -1.160  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.014  -0.696   1.228  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        0.900  -1.666   0.738  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        2.227  -1.340   0.447  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        2.701  -0.036   0.645  0.00  0.00    -0.032 A 
ATOM     20  C   LIG    1        1.820   0.939   1.128  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        0.493   0.610   1.418  0.00  0.00    +0.009 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.133   0.305   0.313  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.342   0.309  -1.132  0.00  0.00    -0.190 NA
ATOM     24  H   LIG    1        3.643   0.781  -1.703  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  S   LIG    1        5.897   0.369  -1.730  0.00  0.00    +0.027 S 
ATOM     26  O   LIG    1        6.689  -0.615  -1.029  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1        5.774   0.369  -3.170  0.00  0.00    -0.158 OA
ATOM     28  C   LIG    1        6.444   1.990  -1.232  0.00  0.00    +0.214 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 4