REMARK  Name = BDB052532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.860  -0.808   0.428  0.00  0.00    +0.084 A 
ATOM      2  N   LIG    1        1.817  -0.032   0.068  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1        0.583  -0.504   0.297  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1        0.351  -1.698   0.862  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        1.415  -2.443   1.206  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1        2.710  -2.044   1.012  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        6.151   0.751  -0.866  0.00  0.00    +0.159 A 
ATOM      8  S   LIG    1        4.565   0.358  -1.397  0.00  0.00    -0.051 S 
ATOM      9  C   LIG    1        4.180  -0.240   0.167  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1        5.279  -0.087   0.997  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        5.378  -0.432   2.440  0.00  0.00    +0.067 C 
ATOM     12  N   LIG    1        6.399   0.460   0.389  0.00  0.00    -0.230 NA
BRANCH   7  13
ATOM     13  N   LIG    1        7.032   1.306  -1.727  0.00  0.00    -0.324 N 
ATOM     14  H   LIG    1        6.802   1.270  -2.713  0.00  0.00    +0.148 HD
BRANCH  13  16
ATOM     15  C   LIG    1        9.106   0.007  -1.724  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1        8.444   1.337  -1.403  0.00  0.00    +0.100 C 
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  N   LIG    1       -0.447   0.344  -0.096  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -0.044   1.180  -0.495  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.841   0.266  -0.062  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1       -2.553  -0.821   0.436  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -3.959  -0.833   0.444  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -4.720   0.237  -0.045  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -3.993   1.326  -0.543  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -2.588   1.342  -0.551  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  N   LIG    1       -6.102   0.222  -0.035  0.00  0.00    -0.326 N 
ATOM     26  C   LIG    1       -6.901   1.105  -0.899  0.00  0.00    +0.133 C 
ATOM     27  C   LIG    1       -8.262   0.456  -1.202  0.00  0.00    +0.178 C 
ATOM     28  O   LIG    1       -9.047   0.166  -0.037  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -8.252  -0.101   1.128  0.00  0.00    +0.178 C 
ATOM     30  C   LIG    1       -6.867  -0.697   0.822  0.00  0.00    +0.133 C 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6