REMARK  Name = BDB020938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.077  -0.166   0.102  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -2.181   0.987  -0.074  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -0.716   0.519  -0.156  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -0.491  -0.532  -1.157  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.756  -1.003  -1.532  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.898  -1.879  -2.385  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.692  -1.093  -1.779  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -2.829  -1.334  -0.767  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -7.019   0.778   1.098  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -6.065   1.727   0.783  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -4.782   1.433   0.456  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1       -4.398   0.137   0.421  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -5.309  -0.873   0.743  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -6.627  -0.554   1.080  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1       -9.434   1.476   1.708  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -8.351   1.163   1.435  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1        1.952  -0.398  -0.818  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.268  -0.991  -1.313  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.395  -0.535  -0.419  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1        4.723  -1.413   0.595  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        4.264  -2.307   0.687  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1        5.715  -1.165   1.520  0.00  0.00    +0.266 A 
ATOM     23  O   LIG    1        5.978  -1.983   2.397  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1        6.337   0.105   1.309  0.00  0.00    +0.102 A 
ATOM     25  C   LIG    1        5.963   0.940   0.292  0.00  0.00    +0.085 A 
ATOM     26  C   LIG    1        6.704   2.142   0.261  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        7.636   2.174   1.281  0.00  0.00    +0.048 A 
ATOM     28  S   LIG    1        7.589   0.750   2.249  0.00  0.00    -0.090 S 
ATOM     29  N   LIG    1        4.945   0.625  -0.619  0.00  0.00    -0.233 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5