REMARK  Name = BDB059377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.435   0.012   1.189  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.566   0.466   0.529  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.503   0.648  -0.475  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.506  -0.708   2.182  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -2.438   3.089  -1.593  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.273   1.862  -0.743  0.00  0.00    -0.046 A 
ATOM      7  C   LIG    1       -1.021   1.537  -0.205  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -0.877   0.405   0.606  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.996  -0.379   0.905  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -3.254  -0.054   0.393  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1       -3.386   1.064  -0.432  0.00  0.00    +0.049 A 
BRANCH  10  12
ATOM     12  O   LIG    1       -4.251  -0.911   0.763  0.00  0.00    -0.489 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -5.608  -0.600   0.435  0.00  0.00    +0.167 C 
ATOM     14  C   LIG    1       -6.479  -1.247   1.510  0.00  0.00    +0.051 C 
ATOM     15  C   LIG    1       -5.957  -1.178  -0.934  0.00  0.00    +0.051 C 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  N   LIG    1        2.882  -0.239   0.942  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        2.689  -0.905   1.711  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.613  -1.114  -0.345  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1        3.067  -0.559  -1.568  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        3.481  -2.508   0.013  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        5.305  -0.657  -0.247  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1        6.219  -1.411  -0.972  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1        5.821  -2.434  -1.739  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        7.577  -1.105  -0.924  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        8.020  -0.036  -0.145  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        7.103   0.726   0.581  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.740   0.419   0.533  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 6