REMARK  Name = BDB015670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.796   1.109  -0.606  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.454   0.168  -1.485  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.802  -0.276  -1.384  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.697   0.131  -0.468  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.303   1.085   0.398  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.030   1.611   0.371  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.318   1.488   1.404  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.419   2.771   1.803  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.363   3.188   2.732  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.395   4.593   3.108  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.281   2.313   3.309  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.131   2.625   4.138  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.195   0.903   2.855  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.272   0.536   1.959  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.146   1.525  -0.706  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        2.287   2.528  -0.592  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.219   0.722   0.314  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        3.978   1.802   0.912  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.503  -0.221   1.144  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.306  -0.164  -0.836  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        3.506  -0.973  -1.854  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1        5.272  -1.100  -0.083  0.00  0.00    +0.027 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.334  -1.330   1.349  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.299  -0.368   0.785  0.00  0.00    -0.001 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  25
ATOM     25  O   LIG    1       -1.138  -1.286  -2.276  0.00  0.00    -0.420 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.479  -1.564  -2.393  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -3.333  -0.658  -3.026  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1       -2.857   0.502  -3.504  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -4.685  -0.943  -3.177  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -5.188  -2.154  -2.702  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -4.335  -3.075  -2.086  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -2.968  -2.797  -1.935  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -2.060  -3.787  -1.266  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8