REMARK  Name = BDB059094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.391  -0.141  -0.507  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -0.483   1.005  -0.771  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        0.141   1.551   0.535  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1        0.819   0.472   1.303  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.130  -0.632   1.593  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -0.721  -1.207   0.283  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.131   0.179   0.983  0.00  0.00    +0.199 A 
ATOM      8  N   LIG    1        2.807  -0.627   1.851  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1        2.371  -0.907   2.713  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1        4.114  -0.972   1.696  0.00  0.00    +0.257 A 
ATOM     11  O   LIG    1        4.701  -1.673   2.513  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        4.774  -0.458   0.476  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        6.204  -0.861   0.305  0.00  0.00    +0.111 C 
ATOM     14  S   LIG    1        7.098   0.084  -0.962  0.00  0.00    -0.155 S 
ATOM     15  C   LIG    1        5.774   0.171  -2.194  0.00  0.00    +0.075 C 
ATOM     16  C   LIG    1        4.555   0.887  -1.625  0.00  0.00    +0.066 C 
ATOM     17  C   LIG    1        4.023   0.316  -0.329  0.00  0.00    +0.055 A 
ATOM     18  N   LIG    1        2.713   0.652  -0.075  0.00  0.00    -0.220 NA
ENDBRANCH   4   7
BRANCH   1  22
ATOM     19  C   LIG    1       -5.542   0.398   0.224  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1       -5.019  -0.860  -0.044  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -3.645  -1.014  -0.284  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.748   0.068  -0.254  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -3.308   1.328  -0.008  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1       -4.680   1.490   0.236  0.00  0.00    +0.047 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -7.771  -0.391   0.452  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -6.852   0.694   0.477  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH   1  22
TORSDOF 3