REMARK  Name = BDB015616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.161  -2.448  -1.765  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1        0.341  -1.593  -0.551  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.661  -0.779  -0.041  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1       -0.498  -0.003   1.050  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.726   0.023   1.595  0.00  0.00    +0.326 A 
ATOM      6  N   LIG    1        1.769  -0.699   1.183  0.00  0.00    -0.178 NA
ATOM      7  C   LIG    1        1.544  -1.486   0.126  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.001  -0.675  -0.660  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -3.069  -1.062   0.060  0.00  0.00    +0.098 A 
ATOM     10  N   LIG    1       -4.356  -1.006  -0.449  0.00  0.00    -0.317 N 
ATOM     11  C   LIG    1       -5.452  -1.451   0.398  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1       -4.635  -0.544  -1.735  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -5.761  -0.501  -2.224  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -3.453  -0.076  -2.532  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -3.733   0.466  -3.897  0.00  0.00    +0.049 C 
ATOM     16  C   LIG    1       -2.225  -0.149  -1.994  0.00  0.00    +0.020 A 
ENDBRANCH   3   8
BRANCH   7  17
ATOM     17  N   LIG    1        2.719  -2.153  -0.294  0.00  0.00    -0.203 N 
ATOM     18  H   LIG    1        2.616  -3.109  -0.627  0.00  0.00    +0.175 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.711  -1.279  -1.328  0.00  0.00    +0.047 S 
ATOM     20  O   LIG    1        4.535  -2.278  -1.978  0.00  0.00    -0.155 OA
ATOM     21  O   LIG    1        2.887  -0.390  -2.120  0.00  0.00    -0.155 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.751  -0.317  -0.203  0.00  0.00    +0.145 C 
ATOM     23  C   LIG    1        5.459  -1.207   0.811  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1        5.762   0.494  -1.010  0.00  0.00    +0.033 C 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   7  17
BRANCH   5  25
ATOM     25  O   LIG    1        0.951   0.792   2.729  0.00  0.00    -0.421 OA
BRANCH  25  26
ATOM     26  C   LIG    1        0.142   1.892   2.878  0.00  0.00    +0.167 A 
ATOM     27  C   LIG    1        0.130   2.932   1.944  0.00  0.00    +0.168 A 
ATOM     28  F   LIG    1        0.909   2.873   0.854  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -0.673   4.049   2.137  0.00  0.00    +0.080 A 
ATOM     30  C   LIG    1       -1.452   4.123   3.284  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1       -2.228   5.196   3.484  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -1.435   3.107   4.238  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -0.626   1.986   4.040  0.00  0.00    +0.052 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 6