REMARK  Name = BDB030306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.874   0.479  -0.015  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.732   0.136   0.950  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1        0.614   0.123   0.237  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1        0.633  -0.855  -0.855  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        1.737  -1.641  -1.185  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        1.665  -2.653  -1.877  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -0.650  -1.204  -1.464  0.00  0.00    +0.110 C 
ATOM      8  C   LIG    1       -1.621  -0.032  -1.443  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.073  -1.242  -0.690  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1        3.577   0.035  -0.955  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        4.849   0.373  -0.493  0.00  0.00    +0.051 A 
ATOM     12  N   LIG    1        5.350   1.666  -0.754  0.00  0.00    -0.322 N 
ATOM     13  H   LIG    1        4.798   2.332  -1.276  0.00  0.00    +0.169 HD
ATOM     14  C   LIG    1        6.591   2.125  -0.353  0.00  0.00    +0.257 A 
ATOM     15  C   LIG    1        7.412   1.179   0.392  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        6.947  -0.096   0.661  0.00  0.00    +0.034 A 
ATOM     17  S   LIG    1        8.073  -1.019   1.543  0.00  0.00    -0.096 S 
ATOM     18  C   LIG    1        9.198   0.270   1.576  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        8.722   1.387   0.925  0.00  0.00    +0.021 A 
ATOM     20  O   LIG    1        6.958   3.266  -0.617  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1        5.631  -0.562   0.223  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        5.122  -1.845   0.455  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        3.848  -2.187  -0.008  0.00  0.00    +0.014 A 
ENDBRANCH   5   9
BRANCH   1  25
ATOM     24  C   LIG    1       -4.338   0.534   0.177  0.00  0.00    +0.401 C 
ATOM     25  N   LIG    1       -3.136  -0.015   0.513  0.00  0.00    -0.278 N 
ATOM     26  H   LIG    1       -3.197  -0.935   0.928  0.00  0.00    +0.152 HD
ATOM     27  O   LIG    1       -4.482   1.553  -0.478  0.00  0.00    -0.226 OA
BRANCH  24  28
ATOM     28  O   LIG    1       -5.322  -0.246   0.676  0.00  0.00    -0.445 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -7.068   1.436   1.114  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -6.716   0.094   0.463  0.00  0.00    +0.107 C 
ATOM     31  C   LIG    1       -7.501  -1.018   1.175  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -7.074   0.068  -1.027  0.00  0.00    +0.055 C 
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH   1  25
TORSDOF 4