REMARK  Name = BDB045709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.512   0.001  -0.900  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.570  -0.875  -0.405  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.173  -0.752  -0.818  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        0.598  -1.763   0.043  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -0.327  -2.031   1.220  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.726  -1.895   0.621  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -2.186   0.890  -1.692  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.002   1.839   1.404  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1       -4.131   0.906   1.758  0.00  0.00    +0.213 C 
ATOM     10  N   LIG    1       -4.385  -0.178   0.913  0.00  0.00    -0.290 N 
ATOM     11  C   LIG    1       -3.992  -0.218  -0.507  0.00  0.00    +0.162 C 
ATOM     12  C   LIG    1       -4.978   0.650  -1.308  0.00  0.00    +0.032 C 
ATOM     13  C   LIG    1       -6.406   0.576  -0.736  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -6.655  -0.711   0.058  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -5.615  -0.930   1.172  0.00  0.00    +0.108 C 
ATOM     16  O   LIG    1       -4.774   1.105   2.791  0.00  0.00    -0.276 OA
ENDBRANCH   1  11
BRANCH   3  17
ATOM     17  C   LIG    1       -0.017  -1.147  -2.301  0.00  0.00    +0.234 C 
ATOM     18  N   LIG    1        0.960  -0.557  -3.054  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        0.926  -0.858  -4.021  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -0.685  -2.048  -2.816  0.00  0.00    -0.274 OA
BRANCH  18  21
ATOM     21  C   LIG    1        1.627   0.698  -2.775  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.748   0.554  -1.776  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.703  -0.464  -1.903  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.738  -0.591  -0.971  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        4.844   0.304   0.101  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1        3.904   1.335   0.216  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        2.869   1.462  -0.715  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.923   0.181   1.078  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        6.930   1.073   1.423  0.00  0.00    +0.053 A 
ATOM     30  C   LIG    1        7.179   2.415   0.832  0.00  0.00    +0.067 C 
ATOM     31  N   LIG    1        7.783   0.635   2.427  0.00  0.00    -0.252 NA
ATOM     32  C   LIG    1        7.423  -0.565   2.821  0.00  0.00    +0.156 A 
ATOM     33  S   LIG    1        6.061  -1.241   2.037  0.00  0.00    -0.075 S 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   3  17
BRANCH   5  34
ATOM     34  O   LIG    1       -0.126  -1.032   2.221  0.00  0.00    -0.390 OA
ATOM     35  H   LIG    1        0.769  -1.153   2.582  0.00  0.00    +0.210 HD
ENDBRANCH   5  34
TORSDOF 6