REMARK  Name = BDB048023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.103  -1.102   0.611  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -1.042  -1.644  -0.256  0.00  0.00    -0.332 N 
ATOM      3  C   LIG    1       -1.829  -2.575   0.405  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.403  -2.601   1.733  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.044  -3.461   2.646  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -3.095  -4.271   2.209  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.507  -4.235   0.881  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.884  -3.390  -0.043  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.331  -1.681   1.851  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1        1.136   0.808   1.236  0.00  0.00    -0.180 N 
ATOM     11  H   LIG    1        0.608   0.800   2.101  0.00  0.00    +0.177 HD
ATOM     12  C   LIG    1        0.901  -0.130   0.235  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        1.478  -0.123  -0.841  0.00  0.00    -0.267 OA
BRANCH  10  14
ATOM     14  S   LIG    1        2.088   2.151   1.051  0.00  0.00    +0.075 S 
ATOM     15  O   LIG    1        1.692   2.838  -0.157  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        2.032   2.834   2.329  0.00  0.00    -0.150 OA
BRANCH  14  19
ATOM     17  C   LIG    1        4.035   2.148  -1.551  0.00  0.00    +0.046 C 
ATOM     18  C   LIG    1        4.496   1.508  -0.272  0.00  0.00    -0.024 A 
ATOM     19  C   LIG    1        3.728   1.461   0.906  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        4.251   0.870   2.072  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        5.525   0.306   2.070  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        6.287   0.334   0.908  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.779   0.930  -0.248  0.00  0.00    +0.005 A 
ENDBRANCH  14  19
ENDBRANCH  10  14
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -1.227  -1.242  -1.653  0.00  0.00    +0.157 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.907   0.104  -1.753  0.00  0.00    -0.027 A 
ATOM     26  C   LIG    1       -3.259   0.256  -1.401  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1       -3.893   1.508  -1.470  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1       -3.152   2.622  -1.888  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1       -1.811   2.482  -2.243  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -1.195   1.232  -2.183  0.00  0.00    +0.005 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -5.341   1.644  -1.069  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1       -5.518   1.556   0.278  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -5.904   2.827  -1.445  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -6.127   0.672  -1.612  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 6