REMARK  Name = BDB008377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.663  -0.532   1.275  0.00  0.00    -0.278 N 
ATOM      2  H   LIG    1       -0.046  -0.646   0.469  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.238  -1.075   2.468  0.00  0.00    +0.251 C 
ATOM      4  O   LIG    1       -0.863  -1.047   3.523  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.050   0.592  -0.338  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -1.855   0.167   0.991  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1       -2.833   0.448   1.944  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -3.997   1.151   1.586  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -4.190   1.584   0.259  0.00  0.00    +0.075 A 
ATOM     10  N   LIG    1       -5.286   2.262  -0.124  0.00  0.00    -0.255 NA
ATOM     11  C   LIG    1       -6.227   2.528   0.809  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1       -6.129   2.146   2.132  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -4.995   1.447   2.525  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -3.209   1.297  -0.680  0.00  0.00    +0.075 A 
BRANCH   5  16
ATOM     15  C   LIG    1       -1.328   0.443  -2.605  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -1.039   0.280  -1.220  0.00  0.00    -0.493 OA
ENDBRANCH   5  16
ENDBRANCH   1   6
BRANCH   3  17
ATOM     17  C   LIG    1        1.075  -1.730   2.403  0.00  0.00    +0.070 A 
ATOM     18  C   LIG    1        1.966  -1.806   1.278  0.00  0.00    +0.095 A 
ATOM     19  C   LIG    1        3.133  -2.502   1.564  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1        4.075  -2.642   0.562  0.00  0.00    +0.131 A 
ATOM     21  N   LIG    1        3.837  -2.098  -0.648  0.00  0.00    -0.222 NA
ATOM     22  C   LIG    1        2.685  -1.447  -0.860  0.00  0.00    +0.216 A 
ATOM     23  S   LIG    1        3.153  -3.062   3.178  0.00  0.00    -0.093 S 
ATOM     24  N   LIG    1        1.732  -1.267   0.054  0.00  0.00    -0.213 NA
ATOM     25  C   LIG    1        1.622  -2.380   3.498  0.00  0.00    +0.061 A 
BRANCH  22  26
ATOM     26  N   LIG    1        2.420  -0.886  -2.096  0.00  0.00    -0.312 N 
ATOM     27  H   LIG    1        1.673  -0.212  -1.975  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1        3.561  -0.430  -2.877  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.238   0.808  -2.257  0.00  0.00    +0.096 C 
BRANCH  29  30
ATOM     30  N   LIG    1        5.306   1.342  -3.105  0.00  0.00    -0.329 NA
ATOM     31  H   LIG    1        6.042   0.641  -3.199  0.00  0.00    +0.118 HD
ATOM     32  H   LIG    1        5.738   2.137  -2.635  0.00  0.00    +0.118 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH   3  17
TORSDOF 7