REMARK  Name = BDB051367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.184  -1.907   1.157  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1        2.209  -2.901   1.046  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        0.850  -2.581   1.147  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        0.456  -1.264   1.377  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.434  -0.276   1.507  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        2.791  -0.593   1.410  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1        4.904  -2.328   1.007  0.00  0.00    -0.111 S 
BRANCH   7   8
ATOM      8  C   LIG    1        5.241  -2.002  -0.774  0.00  0.00    +0.160 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.438  -2.940  -1.668  0.00  0.00    +0.318 C 
ATOM     10  O   LIG    1        4.885  -3.991  -2.110  0.00  0.00    -0.250 OA
BRANCH   9  11
ATOM     11  O   LIG    1        3.175  -2.548  -1.951  0.00  0.00    -0.480 OA
ATOM     12  H   LIG    1        2.871  -1.755  -1.470  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1        5.152  -0.531  -1.213  0.00  0.00    +0.026 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.185   0.374  -0.533  0.00  0.00    +0.001 C 
BRANCH  14  16
ATOM     15  C   LIG    1        7.118   2.712  -0.394  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        6.097   1.806  -1.064  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1       -0.826  -0.806   1.482  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.898  -1.749   1.540  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.418  -2.089   0.143  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.978  -0.867  -0.585  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -4.126  -0.405   0.125  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.750   0.728  -0.332  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -5.810   1.213   0.466  0.00  0.00    -0.006 A 
ATOM     24  C   LIG    1       -6.175   0.497   1.744  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1       -6.476   2.404   0.091  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1       -7.588   2.987   0.921  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -6.109   3.053  -1.096  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.082   2.553  -1.891  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.401   1.398  -1.508  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 13