REMARK  Name = BDB028302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.993  -0.433  -0.705  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.951  -0.205   0.329  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.241   0.718   1.328  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.314   0.981   2.341  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.085   0.319   2.346  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.761  -0.610   1.343  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -4.530   1.427   1.301  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.827   2.245   2.165  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.367   1.121   0.257  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.260   1.603   0.219  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.711  -0.861   0.334  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.123   0.213  -0.727  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.540  -1.293   1.341  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        1.747  -0.579   1.389  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.974  -1.249   1.373  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        2.944  -2.638   1.330  0.00  0.00    +0.125 A 
ATOM     17  N   LIG    1        1.809  -3.373   1.283  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        0.643  -2.684   1.289  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  S   LIG    1        4.525  -0.381   1.427  0.00  0.00    -0.088 S 
BRANCH  19  20
ATOM     20  C   LIG    1        4.378   0.720   0.030  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        4.152   0.230  -1.260  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        4.043   1.117  -2.330  0.00  0.00    +0.042 A 
ATOM     23 CL   LIG    1        3.757   0.511  -3.915  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        4.165   2.491  -2.129  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        4.402   2.983  -0.846  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        4.511   2.099   0.230  0.00  0.00    +0.015 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  27
ATOM     27  C   LIG    1       -3.757  -1.458  -1.811  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.853  -0.887  -2.811  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -2.781  -1.534  -3.597  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -3.291  -0.046  -3.194  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 5