REMARK  Name = BDB060126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.208  -0.372  -0.714  0.00  0.00    -0.189 N 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.561  -0.764  -0.536  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        1.284  -0.180  -0.542  0.00  0.00    +0.167 A 
ATOM      4  F   LIG    1        1.185   1.145  -0.330  0.00  0.00    -0.202 F 
ATOM      5  C   LIG    1        0.127  -0.935  -0.784  0.00  0.00    +0.089 A 
ATOM      6  C   LIG    1        0.248  -2.308  -1.003  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        1.509  -2.903  -1.027  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        2.656  -2.134  -0.804  0.00  0.00    +0.026 A 
BRANCH   2   9
ATOM      9  N   LIG    1        3.696   0.048  -0.317  0.00  0.00    -0.312 N 
ATOM     10  H   LIG    1        3.438   1.026  -0.182  0.00  0.00    +0.152 HD
BRANCH   9  13
ATOM     11  C   LIG    1        7.261   0.342   0.670  0.00  0.00    +0.122 A 
ATOM     12  C   LIG    1        6.022   0.584   0.071  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        4.917  -0.246   0.330  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        5.079  -1.322   1.209  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        6.312  -1.568   1.813  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        7.398  -0.738   1.542  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        8.321   2.181  -0.403  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        8.402   1.077   0.489  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   9  13
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.779  -0.289   0.915  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1       -1.646  -1.597   1.525  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.130   0.848   1.531  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.548   0.036   0.733  0.00  0.00    +0.115 A 
ATOM     23  C   LIG    1       -4.383  -0.992   0.222  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1       -3.890  -2.360  -0.172  0.00  0.00    +0.046 C 
ATOM     25  C   LIG    1       -5.763  -0.751   0.087  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -6.329   0.471   0.448  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1       -7.797   0.715   0.263  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -5.498   1.478   0.940  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -4.112   1.283   1.103  0.00  0.00    -0.023 A 
ATOM     30  C   LIG    1       -3.336   2.439   1.676  0.00  0.00    +0.046 C 
ENDBRANCH  19  22
ENDBRANCH   1  19
BRANCH   1  31
ATOM     31  C   LIG    1       -1.397   0.880  -1.507  0.00  0.00    +0.251 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -2.730   0.874  -2.217  0.00  0.00    +0.324 C 
ATOM     33  O   LIG    1       -3.274  -0.079  -2.754  0.00  0.00    -0.249 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -3.312   2.090  -2.250  0.00  0.00    -0.479 OA
ATOM     35  H   LIG    1       -4.173   1.927  -2.692  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   1  31
TORSDOF 9