REMARK  Name = BDB053661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.352  -1.237  -2.751  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        2.633  -2.094  -3.872  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1        2.658  -3.438  -3.660  0.00  0.00    -0.234 N 
ATOM      4  C   LIG    1        2.958  -4.075  -4.833  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        3.116  -3.121  -5.814  0.00  0.00    +0.022 A 
ATOM      6  N   LIG    1        2.425  -4.031  -2.487  0.00  0.00    -0.139 NA
ATOM      7  C   LIG    1        2.175  -3.203  -1.525  0.00  0.00    +0.214 A 
ATOM      8  C   LIG    1        2.906  -1.859  -5.205  0.00  0.00    +0.033 A 
ATOM      9  N   LIG    1        2.141  -1.834  -1.617  0.00  0.00    -0.203 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        2.313   0.129  -2.927  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1        2.448   0.481  -3.863  0.00  0.00    +0.155 HD
BRANCH  10  17
ATOM     12  C   LIG    1        1.507   2.661   1.291  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1        1.742   2.175  -0.086  0.00  0.00    +0.035 A 
ATOM     14  N   LIG    1        1.820   3.008  -1.164  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1        1.742   4.019  -1.181  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1        2.033   2.367  -2.324  0.00  0.00    -0.158 NA
ATOM     17  C   LIG    1        2.098   1.072  -1.989  0.00  0.00    +0.146 A 
ATOM     18  C   LIG    1        1.929   0.910  -0.596  0.00  0.00    +0.068 A 
ENDBRANCH  10  17
ENDBRANCH   1  10
BRANCH   7  19
ATOM     19  S   LIG    1        1.858  -3.936   0.052  0.00  0.00    -0.048 S 
BRANCH  19  20
ATOM     20  C   LIG    1        0.817  -2.723   0.835  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -0.440  -2.404   0.314  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1       -1.226  -1.420   0.922  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -0.773  -0.746   2.062  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        0.464  -1.095   2.605  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        1.252  -2.082   1.997  0.00  0.00    +0.017 A 
BRANCH  23  26
ATOM     26  N   LIG    1       -1.612   0.252   2.589  0.00  0.00    -0.284 N 
ATOM     27  H   LIG    1       -2.501   0.382   2.124  0.00  0.00    +0.155 HD
ATOM     28  C   LIG    1       -1.339   1.159   3.592  0.00  0.00    +0.231 C 
ATOM     29  O   LIG    1       -0.269   1.259   4.192  0.00  0.00    -0.274 OA
BRANCH  28  30
ATOM     30  C   LIG    1       -2.494   2.115   3.932  0.00  0.00    +0.178 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -3.767   1.809   3.260  0.00  0.00    -0.305 NA
ATOM     32  H   LIG    1       -4.074   0.853   3.437  0.00  0.00    +0.123 HD
BRANCH  31  33
ATOM     33  C   LIG    1       -3.906   2.292   1.890  0.00  0.00    +0.054 C 
ATOM     34  C   LIG    1       -4.649   1.451   0.885  0.00  0.00    +0.020 C 
ATOM     35  C   LIG    1       -5.274   2.706   1.420  0.00  0.00    +0.020 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 8