REMARK  Name = BDB028539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.863   2.986   3.417  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -0.903   2.279   2.414  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.019   2.215   1.585  0.00  0.00    -0.282 N 
ATOM      4  C   LIG    1       -2.025   1.542   0.274  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1       -2.957   2.204  -0.734  0.00  0.00    +0.178 C 
ATOM      6  S   LIG    1       -4.652   2.090  -0.146  0.00  0.00    -0.021 S 
ATOM      7  O   LIG    1       -5.180   0.761  -0.389  0.00  0.00    -0.174 OA
ATOM      8  O   LIG    1       -5.368   3.265  -0.616  0.00  0.00    -0.174 OA
ATOM      9  C   LIG    1       -4.494   2.241   1.618  0.00  0.00    +0.185 C 
ATOM     10  C   LIG    1       -3.215   2.958   1.989  0.00  0.00    +0.132 C 
ATOM     11  N   LIG    1        0.146   1.496   2.014  0.00  0.00    -0.297 N 
ATOM     12  H   LIG    1       -0.118   0.614   1.599  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1       -2.857   1.646  -2.140  0.00  0.00    -0.022 A 
ATOM     14  C   LIG    1       -2.890   0.268  -2.407  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.775  -0.209  -3.714  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.621   0.682  -4.774  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.584   2.054  -4.529  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.708   2.533  -3.223  0.00  0.00    +0.005 A 
ENDBRANCH   5  13
BRANCH  11  19
ATOM     19  C   LIG    1        1.368   1.417   2.800  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.610   1.028   1.972  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.095   2.195   1.289  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        3.920   1.954   0.833  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.366  -0.092   0.929  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        1.647  -1.281   1.422  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        1.285  -2.182   0.309  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        2.425  -3.016  -0.234  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        3.552  -3.303   0.558  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        4.577  -4.113   0.043  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.476  -4.651  -1.243  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.350  -4.387  -2.023  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.689  -2.700   1.935  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        2.327  -3.575  -1.518  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        2.392  -2.049   2.437  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  11  19
TORSDOF 6