REMARK  Name = BDB015796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.729  -0.661   0.080  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.029   0.284   0.636  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.318  -0.046   0.802  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.862  -1.233   0.501  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.053  -2.152  -0.062  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.281  -1.903  -0.303  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.704  -3.433  -0.437  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.063  -4.606  -0.262  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.643  -5.824  -0.588  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.875  -7.040  -0.370  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.933  -5.924  -1.104  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.494  -6.972  -1.410  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.655  -4.638  -1.279  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.064  -3.482  -0.956  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.080  -0.280  -0.090  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        2.757  -0.955   0.265  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.525   0.171  -1.646  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        3.796  -0.490  -1.861  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        1.429  -0.059  -2.561  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.834   1.953  -1.496  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        1.547   2.714  -1.198  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        4.374   3.692  -0.429  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        3.942   2.233  -0.468  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -2.175   0.849   1.428  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.862   2.178   1.271  0.00  0.00    +0.170 A 
ATOM     26  C   LIG    1       -2.021   2.795   0.025  0.00  0.00    +0.168 A 
ATOM     27  F   LIG    1       -2.450   2.085  -1.029  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -1.742   4.144  -0.142  0.00  0.00    +0.080 A 
ATOM     29  C   LIG    1       -1.309   4.876   0.954  0.00  0.00    +0.127 A 
ATOM     30  F   LIG    1       -1.027   6.177   0.805  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -1.163   4.285   2.209  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1       -1.453   2.925   2.387  0.00  0.00    -0.002 A 
ATOM     33  C   LIG    1       -1.294   2.283   3.734  0.00  0.00    +0.048 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7