REMARK  Name = BDB015475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.544   0.670   0.555  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.510  -0.478  -0.126  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.312  -0.818  -0.606  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.818  -0.108  -0.453  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.728   1.046   0.235  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.460   1.482   0.781  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.003   1.784   0.404  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.035   3.125   0.289  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.208   3.851   0.426  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -3.147   5.298   0.284  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.441   3.248   0.675  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -5.497   3.862   0.805  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.428   1.753   0.776  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.739   1.079   1.018  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.264   1.097   0.640  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.809   0.994   1.092  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.987   1.973   1.308  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.331   0.019   2.352  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        4.337   0.802   3.039  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.175  -0.463   3.079  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.139  -1.357   1.536  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.051  -0.994   0.368  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.269  -0.076  -0.397  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.319  -0.247   0.780  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1        0.284  -2.012  -1.320  0.00  0.00    -0.422 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.956  -2.428  -1.752  0.00  0.00    +0.152 A 
ATOM     27  C   LIG    1       -1.491  -1.943  -2.956  0.00  0.00    +0.094 A 
ATOM     28  C   LIG    1       -2.743  -2.400  -3.385  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1       -3.445  -3.337  -2.626  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -2.898  -3.832  -1.441  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -1.642  -3.397  -0.997  0.00  0.00    -0.007 A 
ATOM     32  C   LIG    1       -1.072  -3.932   0.286  0.00  0.00    +0.047 C 
BRANCH  27  33
ATOM     33  C   LIG    1       -0.783  -0.987  -3.755  0.00  0.00    +0.103 C 
ATOM     34  N   LIG    1       -0.216  -0.211  -4.407  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 9