REMARK  Name = BDB016536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.710   0.344   1.313  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1        2.558  -0.993   1.651  0.00  0.00    +0.333 A 
ATOM      3  O   LIG    1        3.537  -1.733   1.781  0.00  0.00    -0.246 OA
ATOM      4  N   LIG    1        1.257  -1.455   1.843  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        0.124  -0.602   1.715  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1        0.314   0.749   1.420  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1       -0.771   1.633   1.300  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -2.068   1.151   1.459  0.00  0.00    +0.106 A 
ATOM      9  C   LIG    1       -2.286  -0.192   1.757  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -1.195  -1.060   1.882  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        1.677   1.261   1.223  0.00  0.00    +0.265 A 
ATOM     12  O   LIG    1        1.834   2.458   0.995  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   8  13
ATOM     13  S   LIG    1       -3.441   2.269   1.322  0.00  0.00    +0.059 S 
ATOM     14  O   LIG    1       -4.613   1.603   1.845  0.00  0.00    -0.153 OA
ATOM     15  O   LIG    1       -3.010   3.556   1.822  0.00  0.00    -0.153 OA
BRANCH  13  16
ATOM     16  N   LIG    1       -3.553   2.425  -0.365  0.00  0.00    -0.184 NA
ATOM     17  H   LIG    1       -3.241   3.365  -0.617  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -4.841   2.047  -0.991  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -6.074   2.885  -0.760  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1       -5.383   2.937  -2.089  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -5.002   0.560  -1.187  0.00  0.00    +0.029 C 
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   8  13
BRANCH   1  22
ATOM     22  C   LIG    1        4.061   0.827   1.055  0.00  0.00    +0.174 C 
BRANCH  22  26
ATOM     23  C   LIG    1        4.978   1.177  -4.175  0.00  0.00    +0.073 C 
ATOM     24  C   LIG    1        4.843   0.728  -2.763  0.00  0.00    +0.075 A 
ATOM     25  S   LIG    1        4.264   1.816  -1.566  0.00  0.00    -0.076 S 
ATOM     26  C   LIG    1        4.417   0.586  -0.381  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        4.905  -0.561  -0.976  0.00  0.00    +0.124 A 
ATOM     28  N   LIG    1        5.144  -0.479  -2.334  0.00  0.00    -0.252 NA
ENDBRANCH  22  26
ENDBRANCH   1  22
BRANCH   4  29
ATOM     29  C   LIG    1        1.096  -2.880   2.138  0.00  0.00    +0.130 C 
BRANCH  29  30
ATOM     30  C   LIG    1        0.806  -3.656   0.882  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1        1.927  -4.134  -0.006  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1        1.140  -5.125   0.806  0.00  0.00    +0.005 C 
ENDBRANCH  29  30
ENDBRANCH   4  29
TORSDOF 7