REMARK  Name = BDB022132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.737   0.033  -1.092  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        0.271  -0.855  -0.767  0.00  0.00    +0.063 A 
ATOM      3  N   LIG    1        1.413  -0.107  -0.513  0.00  0.00    -0.201 N 
ATOM      4  N   LIG    1        1.133   1.236  -0.560  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1       -0.135   1.298  -0.961  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1       -5.874   2.041   0.735  0.00  0.00    +0.105 C 
ATOM      7  N   LIG    1       -5.470   0.668   1.027  0.00  0.00    -0.302 NA
ATOM      8  C   LIG    1       -4.101   0.599   1.570  0.00  0.00    +0.103 C 
ATOM      9  C   LIG    1       -2.975   0.872   0.552  0.00  0.00    +0.123 C 
ATOM     10  N   LIG    1       -3.134   0.109  -0.693  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1       -2.083  -0.278  -1.526  0.00  0.00    +0.250 C 
ATOM     12  O   LIG    1       -2.269  -0.862  -2.591  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -4.491   0.053  -1.239  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1       -5.563  -0.200  -0.164  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   3  15
ATOM     15  C   LIG    1        2.749  -0.579  -0.242  0.00  0.00    +0.252 A 
ATOM     16  N   LIG    1        3.700   0.343   0.023  0.00  0.00    -0.210 NA
ATOM     17  C   LIG    1        4.955  -0.092   0.263  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        5.280  -1.431   0.242  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        4.252  -2.299  -0.037  0.00  0.00    +0.117 A 
ATOM     20  N   LIG    1        2.990  -1.906  -0.281  0.00  0.00    -0.219 NA
BRANCH  17  21
ATOM     21  C   LIG    1        5.913   0.994   0.541  0.00  0.00    +0.038 A 
ATOM     22  S   LIG    1        7.560   0.685   0.934  0.00  0.00    -0.095 S 
ATOM     23  C   LIG    1        7.923   2.346   1.088  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        6.825   3.138   0.850  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        5.673   2.361   0.537  0.00  0.00    +0.017 A 
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   2  26
ATOM     26  C   LIG    1        0.129  -2.406  -0.751  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1       -1.068  -3.047  -0.093  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        0.277  -3.140   0.558  0.00  0.00    +0.010 C 
ENDBRANCH   2  26
TORSDOF 4