REMARK  Name = BDB056292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.193  -0.660  -0.458  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.479  -0.347   0.705  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -0.527   0.618   0.657  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1       -0.823   1.246  -0.559  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1       -0.121   0.926  -1.726  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        0.884  -0.040  -1.675  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.083  -2.680  -1.153  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.248  -1.696  -0.438  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        3.366  -1.495   0.367  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        3.669  -0.252   1.075  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        5.153  -0.113   1.429  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        6.023  -0.601   0.257  0.00  0.00    +0.060 C 
ATOM     13  C   LIG    1        5.726  -2.095  -0.024  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1        4.358  -2.552   0.479  0.00  0.00    +0.109 C 
BRANCH  12  15
ATOM     15  N   LIG    1        7.468  -0.389   0.484  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1        8.293  -0.773  -0.669  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1        9.648  -0.172  -0.339  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1        9.336   1.053   0.509  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1        7.832   1.010   0.739  0.00  0.00    +0.085 C 
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   4  20
ATOM     20  S   LIG    1       -2.107   2.473  -0.598  0.00  0.00    +0.061 S 
ATOM     21  O   LIG    1       -1.899   3.341   0.541  0.00  0.00    -0.153 OA
ATOM     22  O   LIG    1       -2.194   3.008  -1.941  0.00  0.00    -0.153 OA
BRANCH  20  23
ATOM     23  N   LIG    1       -3.518   1.546  -0.320  0.00  0.00    -0.176 NA
ATOM     24  C   LIG    1       -4.714   2.366  -0.019  0.00  0.00    +0.111 C 
ATOM     25  C   LIG    1       -5.771   1.498   0.663  0.00  0.00    +0.036 C 
ATOM     26  C   LIG    1       -5.831   0.067   0.090  0.00  0.00    +0.059 C 
ATOM     27  C   LIG    1       -5.252   0.033  -1.329  0.00  0.00    +0.036 C 
ATOM     28  C   LIG    1       -3.789   0.480  -1.331  0.00  0.00    +0.111 C 
BRANCH  26  29
ATOM     29  N   LIG    1       -7.142  -0.592   0.163  0.00  0.00    -0.299 NA
ATOM     30  C   LIG    1       -8.201  -0.054  -0.689  0.00  0.00    +0.085 C 
ATOM     31  C   LIG    1       -9.486  -0.635  -0.104  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1       -9.083  -1.260   1.225  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -7.704  -0.693   1.507  0.00  0.00    +0.085 C 
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH   4  20
TORSDOF 5