REMARK  Name = BDB001715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.012   3.551   1.085  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1       -2.306   2.184   1.026  0.00  0.00    +0.063 A 
ATOM      3  C   LIG    1       -1.401   1.261   1.577  0.00  0.00    +0.135 A 
ATOM      4  C   LIG    1       -0.214   1.685   2.192  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1        0.045   3.066   2.256  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -0.836   3.998   1.698  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -2.713   5.726   0.687  0.00  0.00    -0.126 OA
ATOM      8  N   LIG    1       -2.945   4.524   0.501  0.00  0.00    +0.056 N 
ATOM      9  O   LIG    1       -3.900   4.079  -0.151  0.00  0.00    -0.126 OA
ENDBRANCH   1   8
BRANCH   3  10
ATOM     10  S   LIG    1       -1.792  -0.467   1.503  0.00  0.00    +0.063 S 
ATOM     11  O   LIG    1       -2.686  -0.736   2.606  0.00  0.00    -0.153 OA
ATOM     12  O   LIG    1       -0.577  -1.226   1.282  0.00  0.00    -0.153 OA
BRANCH  10  13
ATOM     13  N   LIG    1       -2.687  -0.611   0.053  0.00  0.00    -0.172 NA
ATOM     14  C   LIG    1       -1.909  -0.444  -1.223  0.00  0.00    +0.137 C 
ATOM     15  C   LIG    1       -1.692  -1.790  -1.919  0.00  0.00    +0.177 C 
ATOM     16  O   LIG    1       -2.922  -2.422  -2.300  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -4.010  -2.134  -1.410  0.00  0.00    +0.177 C 
ATOM     18  C   LIG    1       -3.555  -1.839   0.022  0.00  0.00    +0.137 C 
ENDBRANCH  10  13
ENDBRANCH   3  10
BRANCH   4  19
ATOM     19  N   LIG    1        0.668   0.806   2.841  0.00  0.00    -0.152 NA
ATOM     20  N   LIG    1        1.708   0.428   2.251  0.00  0.00    -0.182 NA
BRANCH  20  21
ATOM     21  C   LIG    1        2.024   0.803   0.867  0.00  0.00    +0.205 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.064  -0.120   0.284  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        2.741  -1.375  -0.243  0.00  0.00    +0.167 A 
ATOM     24  C   LIG    1        3.730  -2.173  -0.815  0.00  0.00    +0.201 A 
ATOM     25  C   LIG    1        5.052  -1.753  -0.842  0.00  0.00    +0.162 A 
ATOM     26  C   LIG    1        5.406  -0.528  -0.299  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        4.415   0.285   0.264  0.00  0.00    +0.013 A 
BRANCH  23  28
ATOM     28  O   LIG    1        1.471  -1.887  -0.256  0.00  0.00    -0.503 OA
ATOM     29  H   LIG    1        0.981  -1.582   0.543  0.00  0.00    +0.292 HD
ENDBRANCH  23  28
BRANCH  24  30
ATOM     30  O   LIG    1        3.412  -3.394  -1.351  0.00  0.00    -0.501 OA
ATOM     31  H   LIG    1        2.447  -3.472  -1.200  0.00  0.00    +0.292 HD
ENDBRANCH  24  30
BRANCH  25  32
ATOM     32  O   LIG    1        6.012  -2.545  -1.399  0.00  0.00    -0.503 OA
ATOM     33  H   LIG    1        5.529  -3.344  -1.692  0.00  0.00    +0.292 HD
ENDBRANCH  25  32
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  19
TORSDOF 9