REMARK  Name = BDB017744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.723   1.764  -1.633  0.00  0.00    +0.124 A 
ATOM      2  N   LIG    1       -0.951   1.190  -0.607  0.00  0.00    -0.273 N 
ATOM      3  C   LIG    1        0.085   0.510  -1.273  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.084   0.794  -2.622  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        0.816   0.289  -3.576  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.884  -0.509  -3.153  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1        2.041  -0.793  -1.797  0.00  0.00    +0.107 A 
ATOM      8  C   LIG    1        1.150  -0.299  -0.831  0.00  0.00    +0.057 A 
ATOM      9  N   LIG    1       -1.183   1.565  -2.822  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -1.084   1.225   0.795  0.00  0.00    +0.202 A 
ATOM     11  S   LIG    1       -2.237   2.176   1.605  0.00  0.00    -0.033 S 
ATOM     12  C   LIG    1       -1.615   1.570   3.083  0.00  0.00    +0.101 A 
ATOM     13  C   LIG    1       -2.200   1.977   4.384  0.00  0.00    +0.075 C 
ATOM     14  N   LIG    1       -0.599   0.748   2.932  0.00  0.00    -0.145 NA
ATOM     15  N   LIG    1       -0.289   0.555   1.602  0.00  0.00    -0.123 NA
ENDBRANCH   2  10
BRANCH   7  16
ATOM     16  S   LIG    1        3.395  -1.815  -1.258  0.00  0.00    +0.059 S 
ATOM     17  O   LIG    1        2.839  -2.889  -0.467  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1        4.250  -2.070  -2.399  0.00  0.00    -0.153 OA
BRANCH  16  19
ATOM     19  N   LIG    1        4.262  -0.725  -0.281  0.00  0.00    -0.184 NA
ATOM     20  H   LIG    1        5.059  -0.396  -0.830  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.670  -1.221   1.058  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1        5.675  -2.341   1.181  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1        6.085  -0.939   1.516  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        3.587  -1.103   2.103  0.00  0.00    +0.029 C 
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   7  16
BRANCH   1  25
ATOM     25  C   LIG    1       -3.032   2.484  -1.496  0.00  0.00    +0.152 C 
BRANCH  25  30
ATOM     26  C   LIG    1       -6.590  -1.153  -1.006  0.00  0.00    +0.069 C 
ATOM     27  C   LIG    1       -5.734   0.052  -0.934  0.00  0.00    +0.081 A 
ATOM     28  N   LIG    1       -6.038   1.047  -0.092  0.00  0.00    -0.083 NA
ATOM     29  O   LIG    1       -5.060   2.006  -0.273  0.00  0.00    -0.359 OA
ATOM     30  C   LIG    1       -4.163   1.572  -1.198  0.00  0.00    +0.145 A 
ATOM     31  C   LIG    1       -4.556   0.338  -1.660  0.00  0.00    +0.071 A 
ENDBRANCH  25  30
ENDBRANCH   1  25
TORSDOF 6