REMARK  Name = BDB058647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.686   0.778   0.304  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -0.371  -0.524  -0.155  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1        0.966  -0.846  -0.440  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.983   0.114  -0.270  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1        1.642   1.381   0.187  0.00  0.00    +0.043 A 
ATOM      6  S   LIG    1        3.069   2.328   0.299  0.00  0.00    -0.052 S 
ATOM      7  C   LIG    1        4.030   0.999  -0.258  0.00  0.00    +0.162 A 
ATOM      8  N   LIG    1        3.330  -0.085  -0.514  0.00  0.00    -0.225 NA
ATOM      9  C   LIG    1        0.316   1.739   0.483  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   2  10
ATOM     10  N   LIG    1       -1.415  -1.475  -0.270  0.00  0.00    -0.324 N 
ATOM     11  C   LIG    1       -1.440  -2.286  -1.510  0.00  0.00    +0.133 C 
ATOM     12  C   LIG    1       -1.114  -3.761  -1.231  0.00  0.00    +0.178 C 
ATOM     13  O   LIG    1       -2.007  -4.376  -0.289  0.00  0.00    -0.377 OA
ATOM     14  C   LIG    1       -2.485  -3.469   0.719  0.00  0.00    +0.178 C 
ATOM     15  C   LIG    1       -1.549  -2.278   0.972  0.00  0.00    +0.133 C 
ENDBRANCH   2  10
BRANCH   7  16
ATOM     16  N   LIG    1        5.382   1.062  -0.416  0.00  0.00    -0.305 N 
ATOM     17  C   LIG    1        6.084  -0.043  -1.078  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1        7.198   0.510  -1.981  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1        8.173   1.305  -1.290  0.00  0.00    -0.377 OA
ATOM     20  C   LIG    1        7.661   1.936  -0.108  0.00  0.00    +0.179 C 
ATOM     21  C   LIG    1        6.164   2.279  -0.185  0.00  0.00    +0.135 C 
ENDBRANCH   7  16
BRANCH   1  24
ATOM     22  O   LIG    1       -2.068   3.197   1.365  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1       -2.652   2.175   1.021  0.00  0.00    +0.253 C 
ATOM     24  N   LIG    1       -2.054   1.034   0.539  0.00  0.00    -0.280 N 
ATOM     25  H   LIG    1       -2.663   0.248   0.297  0.00  0.00    +0.155 HD
BRANCH  23  26
ATOM     26  C   LIG    1       -4.102   2.100   1.115  0.00  0.00    +0.101 A 
ATOM     27  C   LIG    1       -4.949   1.056   0.786  0.00  0.00    +0.168 A 
ATOM     28  N   LIG    1       -6.248   1.509   1.050  0.00  0.00    -0.221 N 
ATOM     29  C   LIG    1       -7.346   0.692   0.799  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1       -7.175  -0.539   0.301  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -5.760  -0.931   0.059  0.00  0.00    +0.114 A 
ATOM     32  N   LIG    1       -6.255   2.768   1.544  0.00  0.00    -0.173 NA
ATOM     33  N   LIG    1       -4.708  -0.201   0.287  0.00  0.00    -0.235 NA
ATOM     34  C   LIG    1       -4.968   3.115   1.575  0.00  0.00    +0.150 A 
ENDBRANCH  23  26
ENDBRANCH   1  24
TORSDOF 4