REMARK  Name = BDB037194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.696   1.313  -1.266  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.132   0.625  -1.762  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.376   1.574   0.073  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.069   2.233   0.831  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.907   0.932   0.497  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.519   0.145  -0.434  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.677  -0.440  -0.061  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.249  -0.299   1.202  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.589   0.522   2.127  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.399   1.148   1.775  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.344  -1.239  -0.969  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.741  -1.269  -2.259  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.552  -0.959   1.563  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.672  -0.053   1.357  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.089   0.743   2.366  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.116   1.412   1.835  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.366   1.042   0.501  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.418   0.086   0.220  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.083   1.773  -2.033  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.152   3.219  -2.016  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.127   1.056  -3.291  0.00  0.00    -0.150 OA
BRANCH  19  26
ATOM     22  C   LIG    1       -5.442   0.136   0.611  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1       -5.338   1.512   0.342  0.00  0.00    +0.085 A 
ATOM     24 CL   LIG    1       -6.470   2.644   0.998  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1       -4.311   2.011  -0.462  0.00  0.00    +0.056 A 
ATOM     26  C   LIG    1       -3.377   1.129  -1.014  0.00  0.00    +0.152 A 
ATOM     27  C   LIG    1       -3.481  -0.241  -0.775  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -4.499  -0.734   0.051  0.00  0.00    +0.094 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -6.591  -1.640   1.727  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -6.476  -0.258   1.419  0.00  0.00    -0.494 OA
ENDBRANCH  22  30
BRANCH  27  31
ATOM     31  O   LIG    1       -2.541  -1.108  -1.267  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -3.097  -1.950  -2.281  0.00  0.00    +0.277 C 
ENDBRANCH  27  31
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 8