REMARK  Name = BDB046034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.438  -0.249   2.045  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.621  -0.535   0.867  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1       -0.594  -0.701  -0.027  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -0.769  -1.027  -0.974  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.792  -0.631   0.392  0.00  0.00    +0.200 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.715  -0.846  -0.813  0.00  0.00    +0.233 C 
ATOM      7  N   LIG    1        3.074  -0.680  -0.605  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        3.997  -0.819  -1.734  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1        5.189   0.152  -1.653  0.00  0.00    +0.124 C 
ATOM     10  N   LIG    1        5.903   0.051  -0.364  0.00  0.00    -0.327 N 
ATOM     11  C   LIG    1        5.192  -0.592   0.752  0.00  0.00    +0.124 C 
ATOM     12  C   LIG    1        3.676  -0.320   0.683  0.00  0.00    +0.126 C 
ATOM     13  O   LIG    1        1.247  -1.162  -1.911  0.00  0.00    -0.274 OA
BRANCH  10  14
ATOM     14  C   LIG    1        7.256   0.356  -0.285  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        7.864   1.237  -1.188  0.00  0.00    +0.043 A 
ATOM     16  C   LIG    1        9.219   1.526  -1.074  0.00  0.00    +0.112 A 
ATOM     17  N   LIG    1       10.022   1.004  -0.129  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1        9.435   0.160   0.739  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        8.089  -0.182   0.703  0.00  0.00    +0.043 A 
ENDBRANCH  10  14
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.988  -0.701   0.246  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.080  -0.676   1.312  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -5.426  -0.763   0.721  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -5.872  -2.051   0.430  0.00  0.00    +0.330 A 
ATOM     24  O   LIG    1       -5.227  -3.074   0.654  0.00  0.00    -0.246 OA
ATOM     25  N   LIG    1       -7.098  -2.144  -0.153  0.00  0.00    -0.275 N 
ATOM     26  H   LIG    1       -7.428  -3.072  -0.364  0.00  0.00    +0.173 HD
ATOM     27  C   LIG    1       -7.860  -1.103  -0.574  0.00  0.00    +0.258 A 
ATOM     28  O   LIG    1       -8.933  -1.283  -1.141  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -7.328   0.257  -0.308  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -8.199   1.353  -0.856  0.00  0.00    +0.111 C 
ATOM     31  S   LIG    1       -7.336   2.936  -1.037  0.00  0.00    -0.155 S 
ATOM     32  C   LIG    1       -6.543   2.940   0.581  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1       -5.599   1.747   0.725  0.00  0.00    +0.064 C 
ATOM     34  C   LIG    1       -6.159   0.379   0.357  0.00  0.00    +0.033 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6