REMARK  Name = BDB039278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.742   0.057   4.096  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.667   0.236   2.937  0.00  0.00    +0.113 A 
ATOM      3  S   LIG    1        2.737  -1.007   2.427  0.00  0.00    -0.050 S 
ATOM      4  C   LIG    1        3.289   0.054   1.186  0.00  0.00    +0.132 A 
ATOM      5  N   LIG    1        2.706   1.239   1.230  0.00  0.00    -0.141 NA
ATOM      6  N   LIG    1        1.776   1.348   2.240  0.00  0.00    -0.145 NA
BRANCH   4   7
ATOM      7  C   LIG    1        4.307  -0.333   0.192  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.960  -1.573   0.194  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        5.915  -1.874  -0.779  0.00  0.00    +0.136 A 
ATOM     10  F   LIG    1        6.514  -3.072  -0.736  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        6.253  -0.968  -1.778  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1        5.609   0.274  -1.793  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        4.650   0.584  -0.820  0.00  0.00    +0.011 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.285  -1.347  -2.796  0.00  0.00    +0.420 C 
ATOM     15  F   LIG    1        7.515  -0.363  -3.714  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.499  -1.620  -2.244  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        6.938  -2.446  -3.521  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  S   LIG    1       -0.588  -1.164   3.803  0.00  0.00    -0.118 S 
BRANCH  18  24
ATOM     19  C   LIG    1       -2.351  -1.852  -1.090  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -2.167  -0.909   0.065  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -2.621   0.416   0.008  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1       -2.394   1.285   1.074  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -1.782   0.821   2.240  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1       -1.362  -0.507   2.334  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -1.566  -1.367   1.248  0.00  0.00    +0.021 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -3.198   0.863  -1.146  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.617   1.140  -1.117  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -4.893   2.593  -0.715  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1       -5.451   0.178  -0.255  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -5.046   0.964  -2.582  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -5.842   0.147  -3.022  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -4.446   1.824  -3.436  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -4.779   1.556  -4.317  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 9