REMARK  Name = BDB033763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.119  -0.391  -0.607  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -1.384  -0.080  -0.283  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -2.320  -0.210  -1.250  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -2.059  -0.671  -2.512  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.742  -0.972  -2.745  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1        0.230  -0.834  -1.821  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.109  -0.828  -3.544  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -4.064  -1.737  -3.209  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -3.765   0.333  -3.820  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -2.611  -1.251  -4.743  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        0.815  -0.217   0.406  0.00  0.00    -0.281 N 
ATOM     12  H   LIG    1        0.375   0.142   1.244  0.00  0.00    +0.155 HD
BRANCH  11  17
ATOM     13  C   LIG    1        4.962  -0.816   0.878  0.00  0.00    +0.108 A 
ATOM     14  C   LIG    1        4.202  -0.277   1.913  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        2.837  -0.097   1.715  0.00  0.00    +0.146 A 
ATOM     16  F   LIG    1        2.110   0.435   2.710  0.00  0.00    -0.203 F 
ATOM     17  C   LIG    1        2.193  -0.448   0.513  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1        2.981  -0.999  -0.503  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        4.358  -1.191  -0.325  0.00  0.00    +0.030 A 
BRANCH  13  20
ATOM     20  S   LIG    1        6.701  -1.070   1.119  0.00  0.00    +0.058 S 
ATOM     21  O   LIG    1        6.910  -1.361   2.519  0.00  0.00    -0.153 OA
ATOM     22  O   LIG    1        7.180  -1.946   0.074  0.00  0.00    -0.153 OA
BRANCH  20  24
ATOM     23  C   LIG    1        7.184   1.107  -0.438  0.00  0.00    +0.127 C 
ATOM     24  N   LIG    1        7.324   0.456   0.852  0.00  0.00    -0.193 NA
ATOM     25  H   LIG    1        7.536   1.002   1.684  0.00  0.00    +0.148 HD
ENDBRANCH  20  24
ENDBRANCH  13  20
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   3  26
ATOM     26  O   LIG    1       -3.631   0.079  -0.939  0.00  0.00    -0.470 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.842   0.862   0.249  0.00  0.00    +0.208 C 
ATOM     28  C   LIG    1       -4.069  -0.017   1.503  0.00  0.00    +0.181 C 
ATOM     29  C   LIG    1       -5.551  -0.361   1.636  0.00  0.00    +0.194 C 
ATOM     30  O   LIG    1       -6.386   0.792   1.792  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1       -5.870   1.996   1.228  0.00  0.00    +0.163 C 
ATOM     32  C   LIG    1       -5.070   1.742  -0.036  0.00  0.00    +0.075 C 
BRANCH  28  33
ATOM     33  O   LIG    1       -3.281  -1.204   1.516  0.00  0.00    -0.386 OA
ATOM     34  H   LIG    1       -2.403  -0.968   1.158  0.00  0.00    +0.210 HD
ENDBRANCH  28  33
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 8