REMARK  Name = BDB033790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.244  -0.815  -0.226  0.00  0.00    +0.218 A 
ATOM      2  N   LIG    1       -0.955  -0.375  -0.619  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -1.277  -0.529  -1.917  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -0.444  -1.097  -2.845  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.768  -1.505  -2.349  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1        1.130  -1.370  -1.059  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.819  -1.258  -4.268  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1        0.164  -1.850  -5.008  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -1.921  -2.037  -4.452  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -1.075  -0.077  -4.895  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        0.527  -0.643   1.110  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1       -0.124   0.044   1.473  0.00  0.00    +0.149 HD
BRANCH  11  16
ATOM     13  N   LIG    1        4.649  -0.484   1.986  0.00  0.00    -0.166 NA
ATOM     14  C   LIG    1        4.170   0.160   0.742  0.00  0.00    +0.112 C 
ATOM     15  C   LIG    1        2.713   0.568   0.938  0.00  0.00    +0.039 C 
ATOM     16  C   LIG    1        1.897  -0.549   1.607  0.00  0.00    +0.076 C 
ATOM     17  C   LIG    1        2.615  -1.899   1.601  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1        3.986  -1.790   2.265  0.00  0.00    +0.112 C 
BRANCH  13  19
ATOM     19  S   LIG    1        6.324  -0.521   2.187  0.00  0.00    +0.097 S 
ATOM     20  O   LIG    1        6.628  -1.146   3.450  0.00  0.00    -0.141 OA
ATOM     21  O   LIG    1        6.930  -0.961   0.955  0.00  0.00    -0.141 OA
BRANCH  19  23
ATOM     22  C   LIG    1        6.140   1.758   3.565  0.00  0.00    +0.129 C 
ATOM     23  N   LIG    1        6.644   1.117   2.344  0.00  0.00    -0.183 NA
ATOM     24  H   LIG    1        7.646   1.258   2.215  0.00  0.00    +0.149 HD
ENDBRANCH  19  23
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  O   LIG    1       -2.511  -0.101  -2.362  0.00  0.00    -0.473 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.385   0.480  -1.374  0.00  0.00    +0.175 C 
ATOM     27  C   LIG    1       -4.270   1.477  -2.139  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -5.076   2.392  -1.224  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -6.426   1.839  -0.778  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -6.492   0.354  -0.437  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -5.263  -0.202   0.274  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -4.172  -0.649  -0.697  0.00  0.00    +0.044 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 7