REMARK  Name = BDB015659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.620  -0.562   1.272  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.431  -1.323   1.579  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.596  -0.922   1.055  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.768   0.174   0.295  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.676   0.917   0.032  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.563   0.595   0.538  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.910   2.125  -0.798  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        0.003   2.512  -1.711  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.181   3.627  -2.518  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        0.861   3.970  -3.474  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.328   4.414  -2.454  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -1.543   5.410  -3.138  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.351   3.979  -1.470  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.139   2.901  -0.705  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.798  -1.031   1.909  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        1.517  -1.872   2.422  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.077  -1.433   0.878  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        2.857  -2.805   0.479  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.260  -0.384  -0.103  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.478  -1.385   2.027  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        4.637   0.009   2.631  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        6.949  -2.023   2.213  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        5.746  -1.857   1.296  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       -2.687  -1.716   1.384  0.00  0.00    -0.417 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.867  -1.386   0.761  0.00  0.00    +0.208 A 
ATOM     26  C   LIG    1       -4.193  -1.938  -0.485  0.00  0.00    +0.165 A 
ATOM     27  C   LIG    1       -5.414  -1.593  -1.074  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.296  -0.719  -0.424  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -5.967  -0.189   0.822  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.755  -0.529   1.410  0.00  0.00    +0.169 A 
ATOM     31  F   LIG    1       -4.447  -0.019   2.612  0.00  0.00    -0.202 F 
BRANCH  26  32
ATOM     32  O   LIG    1       -3.268  -2.791  -1.027  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1       -3.512  -3.268  -2.343  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8