REMARK  Name = BDB016135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.763   2.349   1.066  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.646   1.778  -0.346  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.811   0.591  -0.392  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.833   0.814  -0.213  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.160  -0.640   0.181  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -3.466  -1.051   0.531  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.665  -2.319   1.120  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.618  -3.213   1.314  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.342  -2.858   0.913  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.662  -0.320   0.381  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.495  -0.720   0.794  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.963   0.833  -0.261  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.125   1.247  -0.203  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.107  -1.596   0.346  0.00  0.00    -0.002 A 
ATOM     15  C   LIG    1       -3.945   1.554  -1.079  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.273  -1.304  -0.091  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1        1.289  -1.184   0.779  0.00  0.00    +0.008 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.678  -0.891   0.398  0.00  0.00    -0.023 A 
ATOM     19  C   LIG    1        3.003  -0.081  -0.697  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1        4.345   0.192  -0.992  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1        5.373  -0.343  -0.214  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        5.054  -1.137   0.885  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        3.716  -1.401   1.192  0.00  0.00    +0.008 A 
BRANCH  20  24
ATOM     24  S   LIG    1        4.742   1.184  -2.400  0.00  0.00    +0.056 S 
ATOM     25  O   LIG    1        6.096   0.903  -2.815  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        3.630   1.171  -3.321  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  N   LIG    1        4.773   2.727  -1.738  0.00  0.00    -0.204 NA
ATOM     28  H   LIG    1        4.049   3.301  -2.171  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        5.712   3.118  -1.822  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH  17  18
ENDBRANCH  14  16
TORSDOF 4