REMARK  Name = BDB034903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.100  -0.102  -2.114  0.00  0.00    +0.047 A 
ATOM      2  N   LIG    1        0.117  -0.708  -1.304  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1       -1.137  -0.084  -1.340  0.00  0.00    +0.171 A 
ATOM      4  N   LIG    1       -2.201  -0.439  -0.695  0.00  0.00    -0.152 NA
ATOM      5  S   LIG    1       -1.014   1.335  -2.432  0.00  0.00    -0.060 S 
ATOM      6  C   LIG    1        0.647   0.969  -2.795  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.230  -2.004  -0.731  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        0.232  -3.183  -1.500  0.00  0.00    +0.065 A 
ATOM      9 CL   LIG    1        0.068  -3.150  -3.223  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        0.337  -4.435  -0.885  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1        0.426  -4.529   0.504  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        0.398  -3.374   1.281  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        0.291  -2.123   0.670  0.00  0.00    +0.028 A 
ENDBRANCH   2   7
BRANCH   4  14
ATOM     14  C   LIG    1       -3.344   0.285  -0.891  0.00  0.00    +0.272 C 
ATOM     15  O   LIG    1       -4.034   0.224  -1.901  0.00  0.00    -0.268 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.690   1.115   0.263  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1       -4.794   2.024   0.369  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1       -4.736   2.599   1.634  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1       -5.571   3.511   2.165  0.00  0.00    -0.237 NA
ATOM     20  C   LIG    1       -6.564   3.868   1.318  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1       -6.747   3.380   0.031  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1       -3.657   2.077   2.287  0.00  0.00    -0.345 N 
ATOM     23  H   LIG    1       -3.401   2.331   3.230  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1       -5.848   2.436  -0.467  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -3.012   1.181   1.476  0.00  0.00    +0.098 A 
ENDBRANCH  14  16
ENDBRANCH   4  14
BRANCH   1  26
ATOM     26  C   LIG    1        2.521  -0.607  -2.253  0.00  0.00    +0.138 C 
BRANCH  26  27
ATOM     27  N   LIG    1        3.541  -0.047  -1.345  0.00  0.00    -0.298 NA
ATOM     28  C   LIG    1        3.722   1.391  -1.520  0.00  0.00    +0.105 C 
BRANCH  27  29
ATOM     29  C   LIG    1        3.313  -0.425   0.058  0.00  0.00    +0.112 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.503  -0.161   0.994  0.00  0.00    +0.174 C 
BRANCH  30  32
ATOM     31  C   LIG    1        5.255  -0.478   3.207  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1        4.174  -0.650   2.299  0.00  0.00    -0.382 OA
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8