REMARK  Name = BDB051143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.581  -0.778   0.295  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.754  -1.452   0.629  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -2.928  -1.224  -0.099  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.942  -0.321  -1.171  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -1.761   0.358  -1.496  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.592   0.127  -0.768  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.627  -0.904   0.922  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1        0.718  -1.850   1.986  0.00  0.00    +0.248 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.152  -1.852   2.538  0.00  0.00    +0.148 C 
BRANCH   9  11
ATOM     10  C   LIG    1        3.870  -1.637   0.689  0.00  0.00    +0.216 C 
ATOM     11  N   LIG    1        3.146  -2.402   1.603  0.00  0.00    -0.301 N 
ATOM     12  C   LIG    1        3.119  -3.842   1.395  0.00  0.00    +0.132 C 
ATOM     13  O   LIG    1        4.503  -2.157  -0.233  0.00  0.00    -0.276 OA
BRANCH  10  14
ATOM     14  C   LIG    1        3.892  -0.131   0.903  0.00  0.00    +0.100 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.744   0.581  -0.147  0.00  0.00    +0.036 C 
BRANCH  15  17
ATOM     16  C   LIG    1        4.278   2.970  -0.769  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        4.773   2.067   0.088  0.00  0.00    -0.034 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       -4.213  -0.057  -1.945  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.962   1.141  -1.456  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1       -5.029   2.350  -2.029  0.00  0.00    +0.204 A 
ATOM     21  N   LIG    1       -5.811   3.249  -1.374  0.00  0.00    -0.287 N 
ATOM     22  H   LIG    1       -5.973   4.202  -1.656  0.00  0.00    +0.172 HD
ATOM     23  C   LIG    1       -6.423   2.785  -0.234  0.00  0.00    +0.291 A 
ATOM     24  O   LIG    1       -7.163   3.415   0.501  0.00  0.00    -0.260 OA
ATOM     25  S   LIG    1       -5.958   1.096  -0.012  0.00  0.00    -0.028 S 
BRANCH  20  26
ATOM     26  O   LIG    1       -4.395   2.728  -3.169  0.00  0.00    -0.493 OA
ATOM     27  H   LIG    1       -4.602   3.663  -3.323  0.00  0.00    +0.294 HD
ENDBRANCH  20  26
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 10