REMARK  Name = BDB033435
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.080   0.274  -1.343  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.298   0.474   0.022  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        2.356  -0.118   0.720  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1        2.250   0.336   2.074  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1        1.158   1.173   2.161  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        3.244  -0.978   0.018  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        4.410  -1.671   0.673  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        3.006  -1.195  -1.355  0.00  0.00    +0.006 A 
ATOM      9  N   LIG    1        0.597   1.251   0.917  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -0.246   1.762   0.671  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1        1.945  -0.585  -2.021  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -0.025   0.872  -2.022  0.00  0.00    -0.213 N 
ATOM     13  H   LIG    1        0.181   1.125  -2.989  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -1.472  -0.024  -2.042  0.00  0.00    +0.090 S 
ATOM     15  O   LIG    1       -2.300   0.566  -3.073  0.00  0.00    -0.148 OA
ATOM     16  O   LIG    1       -1.174  -1.440  -2.039  0.00  0.00    -0.148 OA
BRANCH  14  22
ATOM     17  C   LIG    1       -3.007   2.414   2.322  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -2.977   1.377   1.254  0.00  0.00    +0.078 A 
ATOM     19  S   LIG    1       -4.097   0.078   1.296  0.00  0.00    -0.076 S 
ATOM     20  C   LIG    1       -3.437  -0.546  -0.158  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -3.999  -1.777  -0.780  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -2.387   0.258  -0.571  0.00  0.00    +0.207 A 
ATOM     23  N   LIG    1       -2.126   1.366   0.250  0.00  0.00    -0.224 NA
ENDBRANCH  14  22
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   4  24
ATOM     24  C   LIG    1        3.097   0.006   3.177  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1        3.783  -0.261   4.075  0.00  0.00    -0.191 NA
ENDBRANCH   4  24
TORSDOF 4