REMARK  Name = BDB046052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.283   2.046   0.620  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.514   0.843   0.690  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1       -0.523  -0.104   0.716  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -0.738  -1.087   0.868  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.880   0.265   0.749  0.00  0.00    +0.200 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.750  -0.997   0.759  0.00  0.00    +0.233 C 
ATOM      7  N   LIG    1        3.120  -0.819   0.666  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        3.776   0.493   0.583  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1        5.296   0.440   0.824  0.00  0.00    +0.127 C 
ATOM     10  N   LIG    1        5.916  -0.549  -0.051  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        5.210  -1.807  -0.310  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.000  -1.990   0.626  0.00  0.00    +0.127 C 
ATOM     13  O   LIG    1        1.231  -2.113   0.856  0.00  0.00    -0.274 OA
BRANCH  10  14
ATOM     14  C   LIG    1        7.287  -0.531  -0.193  0.00  0.00    +0.218 A 
ATOM     15  N   LIG    1        7.983   0.474   0.366  0.00  0.00    -0.223 NA
ATOM     16  C   LIG    1        9.319   0.483   0.199  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1       10.000  -0.472  -0.509  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        9.216  -1.458  -1.047  0.00  0.00    +0.116 A 
ATOM     19  N   LIG    1        7.878  -1.507  -0.903  0.00  0.00    -0.223 NA
ENDBRANCH  10  14
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.905   0.255   0.713  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.960   1.350   0.846  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -5.327   0.808   0.771  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -5.840   0.295   1.960  0.00  0.00    +0.330 A 
ATOM     24  O   LIG    1       -5.210   0.228   3.013  0.00  0.00    -0.246 OA
ATOM     25  N   LIG    1       -7.118  -0.171   1.908  0.00  0.00    -0.275 N 
ATOM     26  H   LIG    1       -7.481  -0.580   2.755  0.00  0.00    +0.173 HD
ATOM     27  C   LIG    1       -7.877  -0.284   0.789  0.00  0.00    +0.258 A 
ATOM     28  O   LIG    1       -8.965  -0.852   0.805  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -7.314   0.298  -0.455  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -8.267   0.249  -1.616  0.00  0.00    +0.111 C 
ATOM     31  S   LIG    1       -7.813   1.345  -2.985  0.00  0.00    -0.155 S 
ATOM     32  C   LIG    1       -6.050   0.964  -3.010  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1       -5.401   1.347  -1.683  0.00  0.00    +0.064 C 
ATOM     34  C   LIG    1       -6.059   0.795  -0.427  0.00  0.00    +0.033 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6