REMARK  Name = BDB015586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.429  -0.461   0.871  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.165   0.425   0.185  0.00  0.00    -0.176 NA
ATOM      3  C   LIG    1        0.724   0.675  -1.060  0.00  0.00    +0.184 A 
ATOM      4  C   LIG    1       -0.399   0.125  -1.633  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -1.096  -0.749  -0.831  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1       -0.690  -1.048   0.422  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.332  -1.420  -1.312  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.601  -2.665  -0.876  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.728  -3.365  -1.275  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -3.915  -4.716  -0.770  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.659  -2.842  -2.170  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -5.651  -3.447  -2.572  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.395  -1.443  -2.638  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.409  -0.839  -3.557  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.294  -0.801  -2.213  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   3  16
ATOM     16  S   LIG    1        1.690   1.839  -1.996  0.00  0.00    +0.016 S 
ATOM     17  O   LIG    1        0.735   2.587  -2.801  0.00  0.00    -0.168 OA
ATOM     18  O   LIG    1        2.735   1.075  -2.655  0.00  0.00    -0.168 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.442   3.009  -0.871  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1        3.643   2.438  -0.126  0.00  0.00    +0.032 C 
ATOM     21  C   LIG    1        1.435   3.654   0.074  0.00  0.00    +0.032 C 
ENDBRANCH  16  19
ENDBRANCH   3  16
BRANCH   1  22
ATOM     22  O   LIG    1        0.780  -0.804   2.171  0.00  0.00    -0.422 OA
BRANCH  22  25
ATOM     23  C   LIG    1        0.778   1.457   3.893  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1        2.039   0.752   3.480  0.00  0.00    -0.007 A 
ATOM     25  C   LIG    1        2.003  -0.353   2.611  0.00  0.00    +0.153 A 
ATOM     26  C   LIG    1        3.185  -1.023   2.264  0.00  0.00    +0.084 A 
ATOM     27 CL   LIG    1        3.172  -2.431   1.264  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1        4.412  -0.561   2.739  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        4.461   0.558   3.571  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        3.282   1.209   3.942  0.00  0.00    +0.007 A 
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 5