REMARK  Name = BDB037157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.439   0.363  -1.310  0.00  0.00    +0.256 C 
ATOM      2  N   LIG    1       -1.250   0.689  -0.261  0.00  0.00    -0.221 N 
ATOM      3  H   LIG    1       -1.113   0.272   0.649  0.00  0.00    +0.166 HD
ATOM      4  O   LIG    1       -0.735   0.472  -2.496  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        2.750  -1.649  -1.590  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.368  -1.395  -0.351  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        2.733  -0.549   0.578  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        1.496   0.030   0.285  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.877  -0.233  -0.942  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        1.510  -1.067  -1.876  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        2.943  -2.604  -3.771  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        3.433  -2.482  -2.439  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        4.726  -1.974  -0.012  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.780  -0.964  -0.058  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.655  -0.852   0.974  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.524   0.072   0.553  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.210   0.562  -0.731  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.073  -0.125  -1.102  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -2.833   1.207  -0.524  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -2.644   2.579  -0.939  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -3.469   0.063  -1.326  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -3.002   0.024  -2.238  0.00  0.00    +0.199 HD
BRANCH  19  23
ATOM     23  C   LIG    1       -3.689   1.237   1.037  0.00  0.00    +0.148 A 
ATOM     24  C   LIG    1       -4.824   2.056   1.185  0.00  0.00    +0.142 A 
ATOM     25  C   LIG    1       -5.448   2.131   2.438  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -4.978   1.376   3.515  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -3.878   0.540   3.354  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -3.246   0.451   2.109  0.00  0.00    +0.142 A 
BRANCH  24  29
ATOM     29  O   LIG    1       -5.261   2.740   0.084  0.00  0.00    -0.494 OA
ATOM     30  C   LIG    1       -6.552   3.339   0.133  0.00  0.00    +0.277 C 
ENDBRANCH  24  29
BRANCH  28  31
ATOM     31  O   LIG    1       -2.169  -0.390   1.978  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1       -2.596  -1.764   2.003  0.00  0.00    +0.277 C 
ENDBRANCH  28  31
ENDBRANCH  19  23
ENDBRANCH   2  19
TORSDOF 8