REMARK  Name = BDB063935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.358  -4.476  -1.242  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        2.010  -3.358  -0.919  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.848  -2.189  -0.535  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        4.185  -2.249  -0.530  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        2.030  -1.123  -0.228  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.824  -1.572  -0.408  0.00  0.00    +0.187 C 
ATOM      7  N   LIG    1        0.753  -2.859  -0.816  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.073  -3.406  -0.972  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        5.112  -1.159  -0.184  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.828  -0.231   0.831  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.778   0.763   1.129  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.998   0.846   0.456  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.832   1.877   0.858  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.250   2.558   1.819  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        7.279  -0.099  -0.548  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.697   2.025   2.302  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        6.338  -1.092  -0.853  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.284  -0.815  -0.201  0.00  0.00    -0.316 N 
ATOM     19  H   LIG    1       -0.026   0.153  -0.033  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.548  -1.002  -0.888  0.00  0.00    +0.111 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.662  -0.080  -0.342  0.00  0.00    -0.013 C 
ATOM     22  C   LIG    1       -2.876  -0.282   1.180  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -4.026   0.605   1.690  0.00  0.00    -0.010 C 
ATOM     24  C   LIG    1       -5.321   0.235   0.950  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -5.144   0.453  -0.561  0.00  0.00    -0.010 C 
ATOM     26  C   LIG    1       -4.804   1.927  -0.826  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -3.506   2.306  -0.096  0.00  0.00    -0.010 C 
ATOM     28  C   LIG    1       -3.688   2.080   1.414  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -3.991  -0.430  -1.067  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -2.356   1.418  -0.606  0.00  0.00    +0.012 C 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4