REMARK  Name = BDB033781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.208  -0.153   0.647  0.00  0.00    +0.218 A 
ATOM      2  N   LIG    1       -1.044  -0.019   0.204  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -2.036  -0.332   1.062  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -1.827  -0.790   2.336  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.507  -0.888   2.697  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1        0.517  -0.574   1.879  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.933  -1.149   3.252  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -3.749  -2.123   2.761  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -3.739  -0.098   3.567  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -2.489  -1.630   4.451  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        1.202   0.179  -0.265  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1        0.728   0.742  -0.965  0.00  0.00    +0.149 HD
BRANCH  11  16
ATOM     13  N   LIG    1        5.216   0.606  -0.765  0.00  0.00    -0.181 NA
ATOM     14  C   LIG    1        4.518   1.893  -0.508  0.00  0.00    +0.111 C 
ATOM     15  C   LIG    1        3.021   1.734  -0.728  0.00  0.00    +0.039 C 
ATOM     16  C   LIG    1        2.422   0.759   0.299  0.00  0.00    +0.076 C 
ATOM     17  C   LIG    1        3.423  -0.343   0.679  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1        4.419  -0.611  -0.439  0.00  0.00    +0.111 C 
BRANCH  13  20
ATOM     19  C   LIG    1        7.540  -0.611  -1.418  0.00  0.00    +0.215 C 
ATOM     20  S   LIG    1        6.854   0.600  -0.305  0.00  0.00    +0.029 S 
ATOM     21  O   LIG    1        7.416   1.887  -0.658  0.00  0.00    -0.158 OA
ATOM     22  O   LIG    1        6.930   0.096   1.049  0.00  0.00    -0.158 OA
ENDBRANCH  13  20
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  23
ATOM     23  O   LIG    1       -3.344  -0.235   0.640  0.00  0.00    -0.470 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.552   0.439  -0.618  0.00  0.00    +0.203 C 
ATOM     25  C   LIG    1       -4.949   1.086  -0.572  0.00  0.00    +0.155 C 
ATOM     26  C   LIG    1       -6.047   0.054  -0.286  0.00  0.00    +0.035 C 
ATOM     27  C   LIG    1       -5.775  -1.307  -0.929  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1       -4.842  -1.201  -2.129  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -3.483  -0.584  -1.767  0.00  0.00    +0.047 C 
BRANCH  25  30
ATOM     30  O   LIG    1       -4.987   2.117   0.416  0.00  0.00    -0.388 OA
ATOM     31  H   LIG    1       -5.910   2.412   0.502  0.00  0.00    +0.210 HD
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7