REMARK  Name = BDB032938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.100  -0.971   1.293  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -1.397   0.122   0.769  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.152  -0.014   0.113  0.00  0.00    -0.004 A 
ATOM      4  C   LIG    1        0.407  -1.303   0.026  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.273  -2.405   0.557  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.501  -2.232   1.197  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.479   1.184  -0.469  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        0.714   1.278  -1.850  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        1.332   2.405  -2.397  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.718   3.458  -1.571  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        1.484   3.387  -0.200  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        0.867   2.260   0.347  0.00  0.00    +0.008 A 
ENDBRANCH   3   7
BRANCH   4  13
ATOM     13  C   LIG    1        1.724  -1.583  -0.609  0.00  0.00    +0.250 C 
ATOM     14  N   LIG    1        2.758  -0.814  -0.134  0.00  0.00    -0.261 N 
ATOM     15  H   LIG    1        2.585  -0.131   0.591  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1        1.774  -2.482  -1.439  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        4.063  -0.830  -0.551  0.00  0.00    +0.166 A 
ATOM     18  S   LIG    1        4.629  -1.834  -1.806  0.00  0.00    -0.040 S 
ATOM     19  C   LIG    1        6.178  -1.180  -1.602  0.00  0.00    +0.102 A 
ATOM     20 CL   LIG    1        7.477  -1.711  -2.587  0.00  0.00    -0.074 Cl
ATOM     21  C   LIG    1        6.194  -0.238  -0.599  0.00  0.00    +0.066 A 
ATOM     22  C   LIG    1        7.356   0.553  -0.125  0.00  0.00    +0.068 C 
ATOM     23  N   LIG    1        4.958  -0.043   0.006  0.00  0.00    -0.228 NA
ENDBRANCH  14  17
ENDBRANCH   4  13
BRANCH   1  24
ATOM     24  N   LIG    1       -3.297  -0.858   1.995  0.00  0.00    -0.344 N 
ATOM     25  H   LIG    1       -3.805  -1.734   2.067  0.00  0.00    +0.146 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.156   0.318   1.921  0.00  0.00    +0.101 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.848   0.475   0.564  0.00  0.00    +0.018 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -5.957  -1.832   0.356  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -6.144  -0.326   0.399  0.00  0.00    -0.002 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7