REMARK  Name = BDB009034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.435  -1.004   1.674  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.625  -1.550   0.947  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.851  -1.846   1.567  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.996  -1.609   2.939  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.941  -1.074   3.674  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.267  -0.772   3.044  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.096  -0.791  -0.200  0.00  0.00    +0.227 C 
ATOM      8  N   LIG    1        1.682  -0.663   1.114  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        2.388  -0.324   1.760  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        1.408  -1.205  -1.131  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.502  -0.267  -0.471  0.00  0.00    +0.173 C 
BRANCH  11  12
ATOM     12  S   LIG    1        4.632  -0.543   0.930  0.00  0.00    -0.077 S 
BRANCH  12  16
ATOM     13  C   LIG    1        7.170   2.051  -2.688  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1        7.229   1.288  -1.399  0.00  0.00    +0.043 A 
ATOM     15  N   LIG    1        6.068   0.800  -0.913  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1        6.129   0.112   0.239  0.00  0.00    +0.189 A 
ATOM     17  N   LIG    1        7.252  -0.111   0.939  0.00  0.00    -0.230 NA
ATOM     18  C   LIG    1        8.386   0.392   0.421  0.00  0.00    +0.115 A 
ATOM     19  C   LIG    1        8.434   1.104  -0.753  0.00  0.00    +0.043 A 
ENDBRANCH  12  16
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.988  -2.436   0.765  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.252  -1.581   0.795  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.329  -0.338  -0.036  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -3.199   0.061  -0.944  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -3.589   1.142  -1.958  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.405   2.245  -1.296  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.681   1.680  -0.670  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.455   0.390   0.069  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -6.557  -0.066   0.952  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -7.603   0.565   1.060  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -6.338  -1.235   1.629  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -7.079  -1.564   2.238  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -5.210  -1.991   1.574  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6