REMARK  Name = BDB059264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.170  -1.286   0.346  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.033  -0.915  -0.231  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.079  -0.030  -0.740  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.224  -1.989   1.353  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -2.657   0.627  -3.608  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.625   0.151  -2.185  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -3.775   0.241  -1.387  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -3.758  -0.185  -0.048  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -2.571  -0.687   0.498  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -1.408  -0.752  -0.285  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -1.439  -0.339  -1.624  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -4.948  -0.095   0.729  0.00  0.00    -0.240 N 
ATOM     13  N   LIG    1       -6.097   0.398   0.192  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -6.989   0.338   1.180  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1       -6.448  -0.187   2.361  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -5.137  -0.458   2.047  0.00  0.00    +0.114 A 
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  N   LIG    1        2.280  -1.186   0.638  0.00  0.00    -0.107 NA
ATOM     18  H   LIG    1        2.021  -1.754   1.463  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.048   0.245   1.195  0.00  0.00    +0.079 S 
ATOM     20  O   LIG    1        2.523   1.349   0.416  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.926   0.216   2.634  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.703  -0.025   0.716  0.00  0.00    +0.177 A 
ATOM     23  C   LIG    1        5.728  -0.094   1.647  0.00  0.00    +0.153 A 
ATOM     24  F   LIG    1        5.500   0.031   2.960  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        7.045  -0.296   1.233  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        7.339  -0.425  -0.125  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        6.310  -0.349  -1.062  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        4.998  -0.147  -0.637  0.00  0.00    +0.153 A 
ATOM     29  F   LIG    1        4.035  -0.079  -1.566  0.00  0.00    -0.203 F 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 5