REMARK  Name = BDB037276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.596  -0.915  -1.453  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -0.753  -0.518  -1.316  0.00  0.00    +0.110 A 
ATOM      3  C   LIG    1       -1.312  -1.480  -0.493  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -2.652  -1.490  -0.079  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1       -3.483  -0.441  -0.535  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -2.924   0.528  -1.360  0.00  0.00    +0.179 A 
ATOM      7  O   LIG    1       -3.581   1.599  -1.887  0.00  0.00    -0.395 OA
ATOM      8  C   LIG    1       -2.522   2.241  -2.608  0.00  0.00    +0.589 C 
ATOM      9  F   LIG    1       -2.892   2.345  -3.908  0.00  0.00    -0.125 F 
ATOM     10  F   LIG    1       -2.359   3.495  -2.124  0.00  0.00    -0.125 F 
ATOM     11  O   LIG    1       -1.258   1.564  -2.553  0.00  0.00    -0.395 OA
ATOM     12  O   LIG    1       -0.356  -2.387  -0.161  0.00  0.00    -0.353 OA
ATOM     13  C   LIG    1       -1.596   0.502  -1.746  0.00  0.00    +0.187 A 
ATOM     14  N   LIG    1        0.842  -2.032  -0.760  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  15
ATOM     15  N   LIG    1        1.536  -0.220  -2.200  0.00  0.00    -0.196 N 
ATOM     16  H   LIG    1        1.296   0.703  -2.554  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.190  -0.457  -2.072  0.00  0.00    +0.081 S 
ATOM     18  O   LIG    1        3.803   0.665  -2.759  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1        3.457  -1.812  -2.505  0.00  0.00    -0.150 OA
BRANCH  17  21
ATOM     20  C   LIG    1        4.323  -1.171   0.354  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1        3.539  -0.251  -0.348  0.00  0.00    +0.191 A 
ATOM     22  C   LIG    1        3.024   0.867   0.326  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1        3.238   1.025   1.699  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        4.016   0.103   2.394  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        4.573  -0.981   1.719  0.00  0.00    +0.048 A 
BRANCH  20  27
ATOM     26  C   LIG    1        4.362  -3.457   0.042  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        4.965  -2.201  -0.276  0.00  0.00    -0.493 OA
ENDBRANCH  20  27
BRANCH  22  28
ATOM     28  O   LIG    1        2.252   1.792  -0.331  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1        2.939   3.041  -0.453  0.00  0.00    +0.277 C 
ENDBRANCH  22  28
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   5  30
ATOM     30  C   LIG    1       -4.923  -0.358  -0.098  0.00  0.00    +0.182 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -5.035   0.146   1.264  0.00  0.00    -0.267 N 
ATOM     32  N   LIG    1       -4.878   1.462   1.517  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1       -5.055   1.556   2.836  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1       -5.332   0.311   3.430  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1       -5.318  -0.584   2.386  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 7