REMARK  Name = BDB019048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.962   0.272   0.040  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        0.053   1.315  -0.278  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -1.281   0.980  -0.356  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -1.949   2.115  -0.735  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -1.145   3.153  -0.834  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -1.759  -0.318  -0.110  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.916  -1.281   0.156  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.106   2.663  -0.549  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        0.426  -0.956   0.222  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.199   0.743   0.310  0.00  0.00    +0.105 A 
ATOM     11  C   LIG    1        4.478   0.347   1.440  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        3.093   0.189   1.351  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.426   0.429   0.139  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        3.166   0.837  -0.983  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.551   0.997  -0.900  0.00  0.00    +0.029 A 
BRANCH  10  16
ATOM     16  S   LIG    1        6.958   0.944   0.443  0.00  0.00    +0.060 S 
ATOM     17  O   LIG    1        7.208   1.745   1.621  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1        7.477   1.330  -0.853  0.00  0.00    -0.153 OA
BRANCH  16  20
ATOM     19  C   LIG    1        8.894  -0.700   1.246  0.00  0.00    +0.131 C 
ATOM     20  N   LIG    1        7.498  -0.653   0.752  0.00  0.00    -0.183 NA
ATOM     21  C   LIG    1        7.285  -1.610  -0.357  0.00  0.00    +0.131 C 
ENDBRANCH  16  20
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -3.107  -0.603  -0.167  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.190  -1.621  -0.166  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.981  -0.092   0.888  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.374  -0.619   0.698  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -6.154  -0.303  -0.412  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.828   0.501  -1.615  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.228   0.636  -2.213  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -8.060  -0.437  -1.716  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.434  -0.825  -0.560  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.998  -1.671   0.372  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.244  -1.989   1.500  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.953  -1.465   1.653  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.258  -1.800   2.750  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6