REMARK  Name = BDB030111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.410  -1.504   0.291  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.304  -2.016  -0.589  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -0.609  -0.688   0.753  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -0.386   0.205   1.569  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.978  -0.915   0.222  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -2.255  -1.867  -0.758  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -1.267  -2.622  -1.268  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -3.558  -2.041  -1.223  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -3.900  -3.220  -2.432  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -4.602  -1.266  -0.716  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -4.350  -0.301   0.268  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.032  -0.137   0.729  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.408   0.527   0.825  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -5.196   1.411   1.860  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -6.358   1.977   2.090  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -7.315   1.498   1.248  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -8.698   1.899   1.225  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -6.729   0.570   0.430  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        1.837  -1.008   0.592  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        1.790  -0.260   1.303  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.650  -0.392  -0.786  0.00  0.00    +0.075 S 
ATOM     22  O   LIG    1        2.682   1.049  -0.642  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        2.075  -1.027  -1.955  0.00  0.00    -0.152 OA
BRANCH  21  25
ATOM     24  C   LIG    1        5.395  -0.211  -0.271  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1        4.286  -1.035  -0.550  0.00  0.00    +0.128 A 
ATOM     26  C   LIG    1        4.427  -2.429  -0.674  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1        5.673  -3.023  -0.508  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.775  -2.228  -0.224  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        6.637  -0.839  -0.108  0.00  0.00    +0.025 A 
BRANCH  24  32
ATOM     30  C   LIG    1        5.661   3.541   0.134  0.00  0.00    +0.109 C 
ATOM     31  C   LIG    1        6.221   2.140   0.128  0.00  0.00    +0.214 C 
ATOM     32  N   LIG    1        5.253   1.196  -0.165  0.00  0.00    -0.284 N 
ATOM     33  H   LIG    1        4.314   1.568  -0.322  0.00  0.00    +0.155 HD
ATOM     34  O   LIG    1        7.401   1.934   0.388  0.00  0.00    -0.276 OA
ENDBRANCH  24  32
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6