REMARK  Name = BDB035980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.348  -0.677   1.963  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.885  -0.602   1.278  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.817  -1.043   2.198  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        3.192  -1.140   1.949  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.654  -0.756   0.669  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.720  -0.315  -0.273  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        2.933   0.192  -1.656  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.477   0.233  -2.171  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1        1.201   1.521  -2.949  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1        1.148  -0.984  -3.045  0.00  0.00    +0.056 C 
ATOM     11  O   LIG    1        0.579   0.212  -1.026  0.00  0.00    -0.485 OA
ATOM     12  O   LIG    1        1.179  -1.358   3.357  0.00  0.00    -0.353 OA
ATOM     13  C   LIG    1        1.362  -0.240   0.023  0.00  0.00    +0.139 A 
ATOM     14  N   LIG    1       -0.181  -1.127   3.211  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  15
ATOM     15  N   LIG    1       -1.564  -0.310   1.399  0.00  0.00    -0.196 N 
ATOM     16  H   LIG    1       -1.556  -0.102   0.398  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -3.019  -0.896   1.997  0.00  0.00    +0.081 S 
ATOM     18  O   LIG    1       -2.999  -2.343   1.917  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -3.271  -0.189   3.236  0.00  0.00    -0.150 OA
BRANCH  17  21
ATOM     20  C   LIG    1       -5.496   0.027   1.189  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -4.212  -0.363   0.791  0.00  0.00    +0.191 A 
ATOM     22  C   LIG    1       -3.885  -0.335  -0.571  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -4.804   0.137  -1.515  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -6.077   0.528  -1.111  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -6.429   0.456   0.236  0.00  0.00    +0.048 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -6.110   1.151   3.114  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -5.914  -0.116   2.483  0.00  0.00    -0.493 OA
ENDBRANCH  20  27
BRANCH  22  28
ATOM     28  O   LIG    1       -2.641  -0.706  -1.013  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -2.690  -2.000  -1.626  0.00  0.00    +0.277 C 
ENDBRANCH  22  28
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   5  30
ATOM     30  C   LIG    1        5.129  -0.830   0.353  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  N   LIG    1        5.736   0.490   0.251  0.00  0.00    -0.267 N 
ATOM     32  N   LIG    1        6.164   0.947  -0.946  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.681   2.145  -0.660  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1        6.598   2.453   0.710  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1        5.990   1.358   1.277  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 7