REMARK  Name = BDB046456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.715  -2.596   0.476  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.733  -1.250  -0.077  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.489  -0.576  -0.190  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -0.479   0.696  -0.723  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        0.759   1.286  -0.800  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        1.893   0.689  -0.388  0.00  0.00    -0.222 NA
ATOM      7  C   LIG    1        1.798  -0.547   0.119  0.00  0.00    +0.221 A 
ATOM      8  C   LIG    1       -1.705   1.339  -1.165  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -2.876   0.693  -1.036  0.00  0.00    +0.159 A 
ATOM     10  N   LIG    1        0.630  -1.201   0.231  0.00  0.00    -0.196 NA
ATOM     11  C   LIG    1       -2.935  -0.680  -0.480  0.00  0.00    +0.278 A 
ATOM     12  O   LIG    1       -4.011  -1.260  -0.370  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   9  13
ATOM     13  S   LIG    1       -4.306   1.480  -1.621  0.00  0.00    +0.033 S 
ATOM     14  O   LIG    1       -4.121   2.920  -1.490  0.00  0.00    -0.164 OA
ATOM     15  O   LIG    1       -4.631   0.945  -2.929  0.00  0.00    -0.164 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -5.601   1.095  -0.477  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1       -6.630   0.226  -0.828  0.00  0.00    +0.151 A 
ATOM     18  F   LIG    1       -6.668  -0.379  -2.021  0.00  0.00    -0.203 F 
ATOM     19  C   LIG    1       -7.656  -0.048   0.072  0.00  0.00    +0.078 A 
ATOM     20  C   LIG    1       -7.648   0.565   1.319  0.00  0.00    +0.126 A 
ATOM     21  F   LIG    1       -8.634   0.306   2.187  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -6.636   1.451   1.679  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1       -5.607   1.725   0.777  0.00  0.00    +0.033 A 
ENDBRANCH  13  16
ENDBRANCH   9  13
BRANCH   7  24
ATOM     24  N   LIG    1        2.908  -1.250   0.572  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1        2.615  -2.158   0.902  0.00  0.00    +0.155 HD
BRANCH  24  26
ATOM     26  C   LIG    1        4.280  -0.972   0.639  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        4.852   0.234   0.209  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        6.244   0.448   0.309  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        7.042  -0.559   0.845  0.00  0.00    +0.047 A 
ATOM     30  N   LIG    1        8.340  -0.101   0.829  0.00  0.00    -0.361 N 
ATOM     31  H   LIG    1        9.137  -0.626   1.160  0.00  0.00    +0.165 HD
ATOM     32  C   LIG    1        8.389   1.162   0.302  0.00  0.00    +0.083 A 
ATOM     33  C   LIG    1        6.517  -1.774   1.288  0.00  0.00    +0.028 A 
ATOM     34  C   LIG    1        7.105   1.529  -0.030  0.00  0.00    +0.027 A 
ATOM     35  C   LIG    1        5.131  -1.955   1.173  0.00  0.00    +0.025 A 
ENDBRANCH  24  26
ENDBRANCH   7  24
TORSDOF 4