REMARK  Name = BDB063272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.161   1.263  -1.184  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.517  -0.040  -0.888  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -0.955  -0.144  -1.346  0.00  0.00    +0.122 C 
ATOM      4  N   LIG    1       -1.763   0.889  -0.688  0.00  0.00    -0.307 N 
ATOM      5  C   LIG    1       -1.103   2.159  -0.386  0.00  0.00    +0.122 C 
ATOM      6  C   LIG    1        0.164   2.351  -1.253  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.067   0.631  -0.393  0.00  0.00    +0.162 A 
ATOM      8  S   LIG    1       -4.076   1.713   0.510  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1       -5.400   0.628   0.385  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -4.992  -0.493  -0.330  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1       -5.922  -1.528  -0.555  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -7.228  -1.412  -0.063  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -7.630  -0.275   0.648  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -6.707   0.759   0.886  0.00  0.00    +0.029 A 
ATOM     15  N   LIG    1       -3.679  -0.477  -0.756  0.00  0.00    -0.225 NA
BRANCH  13  16
ATOM     16  C   LIG    1       -9.036  -0.172   1.194  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1       -9.493   1.110   1.248  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -9.134  -0.659   2.461  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -9.950  -0.861   0.455  0.00  0.00    -0.166 F 
ENDBRANCH  13  16
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1        2.228   1.567  -0.216  0.00  0.00    +0.119 C 
BRANCH  20  24
ATOM     21  C   LIG    1        5.997  -0.639  -2.743  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        5.217  -0.461  -1.474  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1        4.134   0.425  -1.429  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        3.377   0.581  -0.258  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        3.711  -0.176   0.873  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        4.779  -1.084   0.842  0.00  0.00    -0.036 A 
ATOM     27  C   LIG    1        5.527  -1.218  -0.338  0.00  0.00    +0.007 A 
BRANCH  26  28
ATOM     28  C   LIG    1        5.127  -1.898   2.066  0.00  0.00    +0.155 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.899  -1.134   3.114  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1        6.089   0.068   3.193  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.383  -1.953   4.074  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1        6.846  -1.343   4.686  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 7