REMARK  Name = BDB025581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.217   0.053  -0.192  0.00  0.00    +0.198 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -3.047  -0.803   1.686  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1       -2.099  -0.401   0.646  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -0.761  -0.260   0.950  0.00  0.00    +0.241 C 
ATOM      5  O   LIG    1       -0.372  -0.427   2.110  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1       -2.773  -0.227  -0.632  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -4.213  -0.696  -0.395  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1       -4.410  -0.450   1.101  0.00  0.00    +0.065 C 
BRANCH   2  12
ATOM      9  C   LIG    1       -3.806  -2.096   4.265  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1       -3.480  -2.844   3.075  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1       -3.302  -3.837   3.173  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1       -2.950  -2.327   1.924  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1       -2.492  -3.101   1.080  0.00  0.00    -0.274 OA
ENDBRANCH   2  12
BRANCH   7  14
ATOM     14  O   LIG    1       -5.160   0.049  -1.141  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -5.082  -0.219  -2.072  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1        1.691  -0.264   0.199  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1        1.866  -1.767   0.529  0.00  0.00    +0.023 C 
ATOM     18  C   LIG    1        3.142  -2.385  -0.042  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1        4.282  -1.476   0.202  0.00  0.00    -0.181 NA
ATOM     20  C   LIG    1        4.139  -0.142  -0.444  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        2.704   0.153  -0.879  0.00  0.00    +0.023 C 
BRANCH  19  22
ATOM     22  S   LIG    1        5.811  -2.215   0.048  0.00  0.00    +0.029 S 
ATOM     23  O   LIG    1        6.167  -2.199  -1.356  0.00  0.00    -0.158 OA
ATOM     24  O   LIG    1        5.788  -3.453   0.796  0.00  0.00    -0.158 OA
ATOM     25  C   LIG    1        6.860  -1.071   0.922  0.00  0.00    +0.215 C 
ENDBRANCH  19  22
ENDBRANCH   1  16
BRANCH   1  26
ATOM     26  N   LIG    1        0.044   1.433  -0.621  0.00  0.00    -0.239 N 
ATOM     27  N   LIG    1        0.208   2.458   0.234  0.00  0.00    -0.065 NA
ATOM     28  N   LIG    1        0.021   3.582  -0.446  0.00  0.00    -0.134 NA
ATOM     29  C   LIG    1       -0.245   3.246  -1.739  0.00  0.00    +0.086 A 
ATOM     30  C   LIG    1       -0.219   1.882  -1.885  0.00  0.00    +0.134 A 
BRANCH  29  31
ATOM     31  C   LIG    1       -0.509   4.262  -2.869  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -1.858   4.284  -3.541  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -1.463   5.400  -2.619  0.00  0.00    +0.010 C 
ENDBRANCH  29  31
ENDBRANCH   1  26
TORSDOF 7