REMARK  Name = BDB015805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.623  -0.644  -0.069  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.694  -1.529   0.297  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -0.560  -1.071   0.288  0.00  0.00    +0.320 A 
ATOM      4  N   LIG    1       -0.934   0.164  -0.068  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        0.041   1.015  -0.450  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.363   0.636  -0.491  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.382   2.386  -0.840  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.598   2.558  -1.395  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.068   3.803  -1.790  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.394   3.885  -2.381  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.320   4.966  -1.635  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -1.676   6.091  -1.974  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        0.010   4.791  -0.998  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        0.433   3.575  -0.628  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.916  -1.228  -0.076  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.777  -2.197   0.224  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        4.045  -0.503   0.951  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        4.006   0.933   0.772  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.879  -1.101   2.257  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.583  -1.082   0.244  0.00  0.00    +0.188 C 
BRANCH  20  22
ATOM     21  C   LIG    1        7.071  -3.034  -0.285  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        5.729  -2.597   0.279  0.00  0.00    +0.021 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  O   LIG    1       -1.504  -1.989   0.690  0.00  0.00    -0.459 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -2.862  -1.541   0.621  0.00  0.00    +0.181 C 
ATOM     25  C   LIG    1       -3.747  -2.784   0.567  0.00  0.00    +0.073 C 
ATOM     26  C   LIG    1       -5.221  -2.398   0.519  0.00  0.00    +0.163 C 
ATOM     27  O   LIG    1       -5.479  -1.113   1.086  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1       -4.691  -0.860   2.244  0.00  0.00    +0.163 C 
ATOM     29  C   LIG    1       -3.226  -0.703   1.855  0.00  0.00    +0.073 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7