REMARK  Name = BDB033770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.110   0.023  -0.931  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -2.357   0.294  -0.521  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -3.361  -0.413  -1.075  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -3.178  -1.388  -2.019  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.871  -1.601  -2.371  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1       -0.837  -0.915  -1.847  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.299  -2.163  -2.598  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -4.894  -2.989  -1.694  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -3.912  -2.970  -3.627  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -5.292  -1.380  -3.106  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1       -0.113   0.783  -0.326  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -0.540   1.433   0.317  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        4.075   1.114  -0.665  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        3.375   1.884   0.262  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        1.986   1.754   0.349  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        1.274   0.871  -0.483  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        2.005   0.114  -1.407  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        3.396   0.234  -1.507  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1        5.837   1.265  -0.802  0.00  0.00    +0.059 S 
ATOM     20  O   LIG    1        6.282   2.343   0.053  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1        6.173   1.216  -2.207  0.00  0.00    -0.153 OA
BRANCH  19  22
ATOM     22  N   LIG    1        6.360  -0.179  -0.141  0.00  0.00    -0.187 NA
ATOM     23  H   LIG    1        6.961  -0.736  -0.746  0.00  0.00    +0.148 HD
BRANCH  22  25
ATOM     24  C   LIG    1        7.802  -0.150   1.822  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        6.385  -0.376   1.309  0.00  0.00    +0.070 C 
ATOM     26  C   LIG    1        5.916  -1.795   1.607  0.00  0.00    +0.025 C 
ENDBRANCH  22  25
ENDBRANCH  19  22
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  27
ATOM     27  O   LIG    1       -4.657  -0.173  -0.665  0.00  0.00    -0.470 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.820   0.931   0.240  0.00  0.00    +0.203 C 
ATOM     29  C   LIG    1       -6.303   1.329   0.244  0.00  0.00    +0.155 C 
ATOM     30  C   LIG    1       -6.979   0.218   1.040  0.00  0.00    +0.035 C 
ATOM     31  C   LIG    1       -5.929  -0.244   2.051  0.00  0.00    +0.006 C 
ATOM     32  C   LIG    1       -4.629   0.480   1.688  0.00  0.00    +0.047 C 
BRANCH  29  33
ATOM     33  O   LIG    1       -6.848   1.443  -1.060  0.00  0.00    -0.388 OA
ATOM     34  H   LIG    1       -6.578   0.646  -1.553  0.00  0.00    +0.210 HD
ENDBRANCH  29  33
ENDBRANCH  27  28
ENDBRANCH   3  27
TORSDOF 9