REMARK  Name = BDB036567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.148   0.760  -1.068  0.00  0.00    +0.188 A 
ATOM      2  C   LIG    1        0.064   1.392  -0.678  0.00  0.00    +0.068 A 
ATOM      3  C   LIG    1        0.990   0.369  -0.694  0.00  0.00    +0.171 A 
ATOM      4  C   LIG    1        2.337   0.513  -0.375  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        2.771   1.796  -0.009  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        1.842   2.873   0.018  0.00  0.00    +0.142 A 
ATOM      7  O   LIG    1        0.377  -0.786  -1.062  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        0.488   2.683  -0.311  0.00  0.00    +0.062 A 
ATOM      9  N   LIG    1       -0.964  -0.541  -1.297  0.00  0.00    -0.061 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -2.367   1.412  -1.175  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -2.451   2.397  -0.948  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.784   0.714  -1.706  0.00  0.00    +0.074 S 
ATOM     13  O   LIG    1       -3.553   0.017  -2.952  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -4.776   1.769  -1.629  0.00  0.00    -0.150 OA
BRANCH  12  18
ATOM     15  C   LIG    1       -4.857  -2.310   1.550  0.00  0.00    -0.047 A 
ATOM     16  C   LIG    1       -5.121  -0.945   1.733  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -4.786  -0.020   0.743  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1       -4.174  -0.461  -0.434  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1       -3.923  -1.818  -0.639  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1       -4.258  -2.738   0.356  0.00  0.00    +0.005 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -5.226  -3.312   2.619  0.00  0.00    +0.035 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -7.742  -3.375   2.214  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -6.444  -4.170   2.267  0.00  0.00    +0.001 C 
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH  12  18
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   6  24
ATOM     24  O   LIG    1        2.378   4.082   0.406  0.00  0.00    -0.493 OA
ATOM     25  C   LIG    1        1.548   5.231   0.306  0.00  0.00    +0.277 C 
ENDBRANCH   6  24
BRANCH   5  26
ATOM     26  N   LIG    1        4.124   2.082   0.296  0.00  0.00    -0.295 N 
ATOM     27  H   LIG    1        4.195   2.950   0.825  0.00  0.00    +0.154 HD
BRANCH  26  28
ATOM     28  C   LIG    1        5.293   1.438   0.113  0.00  0.00    +0.145 A 
ATOM     29  N   LIG    1        6.397   1.775   0.784  0.00  0.00    -0.158 NA
ATOM     30  N   LIG    1        7.339   0.941   0.325  0.00  0.00    -0.280 N 
ATOM     31  H   LIG    1        8.272   1.010   0.717  0.00  0.00    +0.189 HD
ATOM     32  C   LIG    1        6.897   0.101  -0.657  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        5.565   0.413  -0.822  0.00  0.00    +0.068 A 
BRANCH  32  34
ATOM     34  C   LIG    1        7.780  -0.885  -1.333  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1        8.476  -0.279  -2.542  0.00  0.00    +0.010 C 
ENDBRANCH  32  34
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 9