REMARK  Name = BDB059358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.065  -0.799   0.855  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.978   0.037   0.499  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.916   0.638  -0.322  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.076  -1.726   1.648  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -2.858   0.555  -3.108  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.743   0.153  -1.666  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -3.898  -0.033  -0.889  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -3.800  -0.459   0.445  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -2.535  -0.705   0.999  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -1.381  -0.516   0.231  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -1.486  -0.105  -1.104  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -4.963  -0.650   1.246  0.00  0.00    -0.237 N 
ATOM     13  N   LIG    1       -4.852  -1.037   2.550  0.00  0.00    -0.172 NA
ATOM     14  C   LIG    1       -6.111  -1.117   2.989  0.00  0.00    +0.173 A 
ATOM     15  C   LIG    1       -7.019  -0.783   1.991  0.00  0.00    +0.161 A 
ATOM     16  F   LIG    1       -8.350  -0.757   2.087  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1       -6.283  -0.484   0.880  0.00  0.00    +0.152 A 
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  N   LIG    1        2.389  -0.507   0.783  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.321  -1.390   1.318  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.289  -0.823  -0.649  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1        3.418  -2.260  -0.716  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        2.662  -0.040  -1.698  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.863  -0.123  -0.313  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1        5.902  -0.432  -1.181  0.00  0.00    +0.150 A 
ATOM     25  F   LIG    1        5.702  -1.215  -2.249  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1        7.178   0.082  -0.962  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        7.412   0.912   0.134  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.368   1.227   1.006  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.088   0.712   0.786  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5