REMARK  Name = BDB036454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.060   0.979  -0.807  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.223   0.455  -0.500  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.777   1.408   0.328  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        2.049   1.322   0.885  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        2.823   0.197   0.558  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.255  -0.808  -0.248  0.00  0.00    +0.069 A 
ATOM      7  O   LIG    1       -0.111   2.421   0.509  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        0.963  -0.700  -0.806  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1       -1.267   2.153  -0.204  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.978   0.331  -1.621  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.776  -0.630  -1.890  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.593   0.745  -1.738  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.649   2.078  -2.302  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -4.240  -0.361  -2.421  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.913  -0.382   0.743  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -4.186   0.729  -0.070  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.930   1.790   0.453  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -5.377   1.747   1.780  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -5.057   0.665   2.598  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.321  -0.398   2.081  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -4.024  -2.597   0.105  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -3.190  -1.446   0.266  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -5.350   2.833  -0.325  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.629   4.029  -0.019  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  N   LIG    1        4.079   0.077   1.167  0.00  0.00    -0.339 N 
ATOM     26  H   LIG    1        4.458   0.985   1.437  0.00  0.00    +0.146 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.098  -0.827   0.637  0.00  0.00    +0.098 C 
ATOM     28  C   LIG    1        5.686  -0.387  -0.702  0.00  0.00    +0.182 C 
ATOM     29  O   LIG    1        7.060  -0.813  -0.728  0.00  0.00    -0.378 OA
ATOM     30  C   LIG    1        7.394  -1.326   0.568  0.00  0.00    +0.162 C 
ATOM     31  C   LIG    1        6.331  -0.823   1.518  0.00  0.00    +0.052 C 
ENDBRANCH  25  27
ENDBRANCH   5  25
BRANCH   8  32
ATOM     32  O   LIG    1        0.360  -1.634  -1.605  0.00  0.00    -0.494 OA
ATOM     33  C   LIG    1        1.153  -2.736  -2.030  0.00  0.00    +0.277 C 
ENDBRANCH   8  32
TORSDOF 8