REMARK  Name = BDB035951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.428   2.800  -0.122  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.367   1.709  -0.539  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.498   2.306  -1.068  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.600   1.612  -1.592  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        2.552   0.200  -1.607  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        1.407  -0.416  -1.086  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        1.051  -1.860  -1.022  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1       -0.131  -1.786  -0.060  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -0.729  -0.477  -0.170  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        1.358   3.657  -1.013  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        0.333   0.318  -0.575  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1        0.128   3.970  -0.457  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.677   2.787   0.487  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -2.094   3.714   0.556  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -1.902   2.012   1.976  0.00  0.00    +0.081 S 
ATOM     16  O   LIG    1       -0.629   1.444   2.373  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -2.564   2.984   2.826  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -2.962  -0.532   2.240  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -3.097   0.734   1.637  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -4.181   1.009   0.776  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -5.083  -0.017   0.475  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -4.929  -1.283   1.035  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.884  -1.536   1.920  0.00  0.00    +0.048 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -1.761  -1.996   3.714  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -1.956  -0.709   3.148  0.00  0.00    -0.493 OA
ENDBRANCH  18  25
BRANCH  20  26
ATOM     26  O   LIG    1       -4.317   2.287   0.303  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -5.399   2.572  -0.575  0.00  0.00    +0.277 C 
ENDBRANCH  20  26
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  28
ATOM     28  C   LIG    1        3.696  -0.645  -2.161  0.00  0.00    +0.134 C 
ATOM     29  C   LIG    1        4.633   0.064  -3.144  0.00  0.00    +0.038 C 
BRANCH  28  30
ATOM     30  N   LIG    1        4.472  -1.257  -1.074  0.00  0.00    -0.264 N 
ATOM     31  N   LIG    1        4.689  -2.592  -1.081  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        5.429  -2.800   0.011  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1        5.697  -1.612   0.712  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1        5.072  -0.628  -0.016  0.00  0.00    +0.109 A 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 7