REMARK  Name = BDB027182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.818   0.122   0.263  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -1.406  -1.085   0.715  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1       -0.226  -1.142   1.381  0.00  0.00    +0.141 A 
ATOM      4  C   LIG    1        0.565  -0.035   1.606  0.00  0.00    +0.123 A 
ATOM      5  C   LIG    1        0.129   1.206   1.153  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -1.085   1.285   0.469  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.706   1.075  -1.054  0.00  0.00    +0.267 C 
ATOM      8  N   LIG    1       -3.044   0.067  -0.397  0.00  0.00    -0.265 N 
ATOM      9  H   LIG    1       -3.401  -0.877  -0.455  0.00  0.00    +0.157 HD
ATOM     10  O   LIG    1       -3.258   2.201  -1.237  0.00  0.00    -0.268 OA
BRANCH   7  13
ATOM     11  C   LIG    1       -6.002  -0.506   0.417  0.00  0.00    +0.173 C 
ATOM     12  N   LIG    1       -5.968  -0.057  -0.957  0.00  0.00    -0.262 N 
ATOM     13  C   LIG    1       -4.989   0.676  -1.586  0.00  0.00    +0.123 A 
ATOM     14  C   LIG    1       -5.534   1.010  -2.814  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1       -6.777   0.360  -2.862  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1       -7.033  -0.316  -1.742  0.00  0.00    -0.179 NA
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   4  17
ATOM     17  S   LIG    1        2.083  -0.198   2.471  0.00  0.00    +0.060 S 
ATOM     18  O   LIG    1        2.279  -1.591   2.805  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1        2.129   0.845   3.468  0.00  0.00    -0.153 OA
BRANCH  17  20
ATOM     20  N   LIG    1        3.202   0.211   1.302  0.00  0.00    -0.185 NA
ATOM     21  H   LIG    1        3.827   0.983   1.539  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.627  -0.772   0.291  0.00  0.00    +0.096 C 
ATOM     23  C   LIG    1        4.178  -0.051  -0.946  0.00  0.00    +0.136 C 
ATOM     24  N   LIG    1        5.579   0.307  -0.575  0.00  0.00    -0.268 N 
ATOM     25  C   LIG    1        6.010  -0.579   0.542  0.00  0.00    +0.118 C 
ATOM     26  C   LIG    1        4.849  -1.541   0.771  0.00  0.00    +0.041 C 
BRANCH  24  27
ATOM     27  C   LIG    1        6.422   0.963  -1.382  0.00  0.00    +0.169 C 
ATOM     28  N   LIG    1        7.149   1.523  -2.086  0.00  0.00    -0.174 NA
ENDBRANCH  24  27
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   4  17
TORSDOF 6