REMARK  Name = BDB035272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.158   1.203   0.520  0.00  0.00    +0.404 C 
ATOM      2  N   LIG    1       -1.940   0.553   0.399  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1       -1.839  -0.746  -0.269  0.00  0.00    +0.146 C 
ATOM      4  C   LIG    1       -0.447  -1.207  -0.668  0.00  0.00    -0.027 A 
ATOM      5  C   LIG    1        0.494  -0.334  -1.261  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1        1.748  -0.823  -1.651  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.069  -2.168  -1.447  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1        1.139  -3.046  -0.891  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        0.172   1.128  -1.458  0.00  0.00    +0.037 C 
ATOM     10  C   LIG    1        0.073   1.892  -0.137  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1       -0.112  -2.564  -0.505  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.744   1.181   0.942  0.00  0.00    +0.112 C 
ATOM     13  O   LIG    1       -3.289   2.310   1.024  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   7  14
ATOM     14  S   LIG    1        3.669  -2.767  -1.925  0.00  0.00    +0.072 S 
ATOM     15  O   LIG    1        4.241  -1.863  -2.898  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        3.543  -4.182  -2.205  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  N   LIG    1        4.545  -2.663  -0.471  0.00  0.00    -0.214 N 
ATOM     18  H   LIG    1        5.252  -3.400  -0.456  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  C   LIG    1        4.973  -1.369  -0.059  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1        4.245  -0.653   0.903  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1        4.589   0.648   1.307  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        3.611   1.028   2.281  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1        2.740  -0.023   2.452  0.00  0.00    +0.103 A 
ATOM     24 CL   LIG    1        3.495   2.507   3.115  0.00  0.00    -0.081 Cl
ATOM     25  C   LIG    1        5.727   1.219   0.693  0.00  0.00    +0.052 A 
ATOM     26 CL   LIG    1        6.185   2.801   1.147  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        6.471   0.520  -0.262  0.00  0.00    +0.022 A 
ATOM     28  N   LIG    1        3.130  -1.030   1.619  0.00  0.00    -0.358 N 
ATOM     29  H   LIG    1        2.672  -1.927   1.523  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1        6.093  -0.765  -0.635  0.00  0.00    +0.028 A 
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   7  14
BRANCH   1  31
ATOM     31  O   LIG    1       -4.180   0.462   0.018  0.00  0.00    -0.445 OA
BRANCH  31  33
ATOM     32  C   LIG    1       -6.370  -0.161  -0.617  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -5.543   0.958   0.036  0.00  0.00    +0.107 C 
ATOM     34  C   LIG    1       -6.045   1.162   1.470  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1       -5.687   2.228  -0.810  0.00  0.00    +0.055 C 
ENDBRANCH  31  33
ENDBRANCH   1  31
TORSDOF 5