REMARK  Name = BDB060123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.251   2.047  -0.556  0.00  0.00    -0.192 N 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        1.902   0.008  -0.774  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        1.019   1.069  -0.453  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1        1.509   2.234   0.373  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1       -0.318   1.009  -0.901  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -0.762  -0.073  -1.674  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        0.108  -1.106  -1.998  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        1.424  -1.065  -1.545  0.00  0.00    +0.023 A 
BRANCH   2   9
ATOM      9  N   LIG    1        3.230  -0.001  -0.294  0.00  0.00    -0.314 N 
ATOM     10  H   LIG    1        3.603   0.913  -0.064  0.00  0.00    +0.152 HD
BRANCH   9  13
ATOM     11  C   LIG    1        6.281  -1.914   0.612  0.00  0.00    +0.122 A 
ATOM     12  C   LIG    1        5.431  -0.888   0.188  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        4.035  -1.056   0.184  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        3.510  -2.285   0.599  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        4.351  -3.314   1.025  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        5.731  -3.126   1.031  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        8.261  -0.649   0.241  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        7.647  -1.862   0.659  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   9  13
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.118   1.898   0.914  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1       -1.186   1.571   1.974  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.943   3.079   1.069  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.217   0.471   0.658  0.00  0.00    +0.115 A 
ATOM     23  C   LIG    1       -2.788  -0.835   1.022  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1       -1.494  -1.156   1.729  0.00  0.00    +0.046 C 
ATOM     25  C   LIG    1       -3.640  -1.931   0.779  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -4.908  -1.765   0.225  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1       -5.782  -2.952  -0.052  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -5.339  -0.477  -0.086  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -4.528   0.654   0.140  0.00  0.00    -0.023 A 
ATOM     30  C   LIG    1       -5.178   1.988  -0.124  0.00  0.00    +0.046 C 
ENDBRANCH  19  22
ENDBRANCH   1  19
BRANCH   1  31
ATOM     31  C   LIG    1       -1.899   2.745  -1.688  0.00  0.00    +0.251 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -2.215   4.197  -1.425  0.00  0.00    +0.324 C 
ATOM     33  O   LIG    1       -3.197   4.794  -1.843  0.00  0.00    -0.249 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -1.261   4.853  -0.732  0.00  0.00    -0.479 OA
ATOM     35  H   LIG    1       -1.646   5.738  -0.568  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   1  31
TORSDOF 9