REMARK  Name = BDB022092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.248   0.055   0.668  0.00  0.00    +0.233 C 
ATOM      2  N   LIG    1        1.101   0.030   0.297  0.00  0.00    -0.300 N 
ATOM      3  C   LIG    1        1.750  -1.175  -0.220  0.00  0.00    +0.108 C 
ATOM      4  C   LIG    1        3.264  -1.150  -0.052  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1        3.862   0.147  -0.607  0.00  0.00    +0.048 C 
ATOM      6  C   LIG    1        3.203   1.344   0.086  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1        1.691   1.309  -0.098  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1       -0.850   1.112   0.883  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.354   0.175  -0.408  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        6.401   0.433  -1.745  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        7.766   0.325  -0.701  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        7.322   0.099   0.603  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        8.276  -0.024   1.633  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        9.639   0.082   1.335  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       10.059   0.308   0.028  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        9.131   0.433  -1.012  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        5.947   0.015   0.755  0.00  0.00    -0.244 NA
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.956  -1.293   0.886  0.00  0.00    +0.200 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.221  -1.276  -0.064  0.00  0.00    +0.245 C 
ATOM     20  N   LIG    1       -2.389  -1.075   1.018  0.00  0.00    -0.303 N 
ATOM     21  H   LIG    1       -2.638  -0.318   1.645  0.00  0.00    +0.150 HD
ATOM     22  O   LIG    1       -2.856  -1.810  -1.105  0.00  0.00    -0.270 OA
BRANCH  19  26
ATOM     23  C   LIG    1       -7.261   0.160   0.238  0.00  0.00    +0.162 A 
ATOM     24  C   LIG    1       -6.651  -0.010  -1.022  0.00  0.00    +0.162 A 
ATOM     25  C   LIG    1       -5.334  -0.479  -1.096  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1       -4.619  -0.775   0.072  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -5.232  -0.621   1.319  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1       -6.547  -0.152   1.400  0.00  0.00    +0.050 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -9.190   0.844   1.474  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -8.553   0.625   0.224  0.00  0.00    -0.491 OA
ENDBRANCH  23  30
BRANCH  24  31
ATOM     31  O   LIG    1       -7.421   0.310  -2.113  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -6.854   0.114  -3.401  0.00  0.00    +0.277 C 
ENDBRANCH  24  31
ENDBRANCH  19  26
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6