REMARK  Name = BDB033783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.682   0.044   0.687  0.00  0.00    +0.218 A 
ATOM      2  N   LIG    1       -0.614   0.353   0.590  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -0.972   1.619   0.876  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -0.087   2.591   1.263  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.220   2.180   1.327  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1        1.620   0.925   1.044  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.505   3.974   1.584  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -1.050   4.629   0.522  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -1.426   4.036   2.585  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1        0.532   4.759   1.999  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        0.997  -1.265   0.396  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1        0.192  -1.661  -0.077  0.00  0.00    +0.149 HD
BRANCH  11  16
ATOM     13  N   LIG    1        5.048  -1.284  -0.957  0.00  0.00    -0.167 NA
ATOM     14  C   LIG    1        3.982  -1.403  -1.994  0.00  0.00    +0.112 C 
ATOM     15  C   LIG    1        2.657  -0.891  -1.435  0.00  0.00    +0.039 C 
ATOM     16  C   LIG    1        2.293  -1.648  -0.158  0.00  0.00    +0.076 C 
ATOM     17  C   LIG    1        3.422  -1.590   0.872  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1        4.720  -2.096   0.252  0.00  0.00    +0.112 C 
BRANCH  13  19
ATOM     19  S   LIG    1        6.608  -1.522  -1.574  0.00  0.00    +0.095 S 
ATOM     20  O   LIG    1        6.742  -0.780  -2.801  0.00  0.00    -0.141 OA
ATOM     21  O   LIG    1        6.940  -2.917  -1.450  0.00  0.00    -0.141 OA
BRANCH  19  22
ATOM     22  N   LIG    1        7.445  -0.683  -0.416  0.00  0.00    -0.193 NA
ATOM     23  H   LIG    1        7.207   0.305  -0.422  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        7.485  -1.145   0.485  0.00  0.00    +0.145 HD
ENDBRANCH  19  22
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  O   LIG    1       -2.304   1.972   0.808  0.00  0.00    -0.470 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.203   0.961   0.294  0.00  0.00    +0.203 C 
ATOM     27  C   LIG    1       -3.669   0.077   1.470  0.00  0.00    +0.155 C 
ATOM     28  C   LIG    1       -4.828  -0.884   1.194  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1       -4.999  -1.341  -0.251  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -5.777  -0.330  -1.094  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -4.994   0.907  -1.520  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -4.356   1.711  -0.387  0.00  0.00    +0.047 C 
BRANCH  27  33
ATOM     33  O   LIG    1       -4.070   0.898   2.581  0.00  0.00    -0.388 OA
ATOM     34  H   LIG    1       -3.406   1.607   2.657  0.00  0.00    +0.210 HD
ENDBRANCH  27  33
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8