REMARK  Name = BDB033762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.107   0.404  -0.613  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -1.370   0.131  -0.250  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -2.317   0.190  -1.206  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -2.063   0.459  -2.523  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.745   0.713  -2.803  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1        0.233   0.696  -1.875  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.120   0.476  -3.560  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -4.147   1.320  -3.266  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -3.675  -0.746  -3.779  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -2.657   0.886  -4.777  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        0.827   0.343   0.415  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        0.362   0.107   1.280  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        4.973   1.015   0.783  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        4.356   1.252  -0.445  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        2.980   1.033  -0.582  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        2.202   0.594   0.496  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        2.850   0.373   1.725  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        4.223   0.586   1.876  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1        6.716   1.303   0.954  0.00  0.00    +0.058 S 
ATOM     20  O   LIG    1        7.040   1.295   2.363  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1        7.068   2.411   0.094  0.00  0.00    -0.153 OA
BRANCH  19  23
ATOM     22  C   LIG    1        7.082  -1.384   0.801  0.00  0.00    +0.127 C 
ATOM     23  N   LIG    1        7.379  -0.068   0.258  0.00  0.00    -0.193 NA
ATOM     24  H   LIG    1        7.623   0.026  -0.725  0.00  0.00    +0.148 HD
ENDBRANCH  19  23
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  O   LIG    1       -3.602  -0.140  -0.849  0.00  0.00    -0.470 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.989   0.227   0.494  0.00  0.00    +0.208 C 
ATOM     27  C   LIG    1       -3.881  -0.972   1.453  0.00  0.00    +0.181 C 
ATOM     28  C   LIG    1       -4.737  -2.137   0.937  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1       -5.906  -1.717   0.224  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1       -6.432  -0.481   0.690  0.00  0.00    +0.163 C 
ATOM     31  C   LIG    1       -5.460   0.670   0.418  0.00  0.00    +0.075 C 
BRANCH  27  32
ATOM     32  O   LIG    1       -2.542  -1.400   1.694  0.00  0.00    -0.386 OA
ATOM     33  H   LIG    1       -2.018  -1.150   0.905  0.00  0.00    +0.210 HD
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8