REMARK  Name = BDB051157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.467   1.651  -0.835  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.803   1.968  -1.092  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -3.805   1.651  -0.171  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -3.483   1.009   1.030  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -2.143   0.686   1.281  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.142   1.007   0.357  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.600   2.015  -1.827  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1        0.794   1.769  -1.631  0.00  0.00    +0.247 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.168   0.348  -2.063  0.00  0.00    +0.145 C 
BRANCH   9  11
ATOM     10  C   LIG    1        3.192  -0.110  -0.729  0.00  0.00    +0.213 C 
ATOM     11  N   LIG    1        2.588   0.071  -1.955  0.00  0.00    -0.312 N 
ATOM     12  H   LIG    1        3.111  -0.122  -2.800  0.00  0.00    +0.149 HD
ATOM     13  O   LIG    1        2.594   0.012   0.334  0.00  0.00    -0.276 OA
BRANCH  10  14
ATOM     14  C   LIG    1        4.662  -0.467  -0.842  0.00  0.00    +0.096 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.325  -0.622   0.526  0.00  0.00    +0.009 C 
BRANCH  15  17
ATOM     16  C   LIG    1        7.200  -2.186  -0.211  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        6.833  -0.864   0.446  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1       -4.558   0.647   2.029  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.340  -0.570   1.645  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1       -6.590  -0.654   1.161  0.00  0.00    +0.204 A 
ATOM     21  N   LIG    1       -7.027  -1.921   0.941  0.00  0.00    -0.287 N 
ATOM     22  H   LIG    1       -7.944  -2.120   0.574  0.00  0.00    +0.172 HD
ATOM     23  C   LIG    1       -6.152  -2.930   1.246  0.00  0.00    +0.291 A 
ATOM     24  O   LIG    1       -6.336  -4.128   1.129  0.00  0.00    -0.260 OA
ATOM     25  S   LIG    1       -4.672  -2.184   1.863  0.00  0.00    -0.028 S 
BRANCH  20  26
ATOM     26  O   LIG    1       -7.462   0.342   0.864  0.00  0.00    -0.493 OA
ATOM     27  H   LIG    1       -7.039   1.197   1.044  0.00  0.00    +0.294 HD
ENDBRANCH  20  26
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 10