REMARK  Name = BDB032965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.382   0.254  -0.231  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -0.130   0.142  -0.847  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        1.039   0.594  -0.214  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        0.987   1.188   1.056  0.00  0.00    -0.038 A 
ATOM      5  C   LIG    1        2.201   1.734   1.750  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -0.256   1.251   1.696  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -1.415   0.777   1.065  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.313   0.395  -0.945  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1        3.191  -0.434  -0.290  0.00  0.00    -0.261 N 
ATOM     10  H   LIG    1        2.921  -0.876   0.577  0.00  0.00    +0.157 HD
ATOM     11  O   LIG    1        2.445   0.928  -2.038  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1        4.422  -0.742  -0.793  0.00  0.00    +0.167 A 
ATOM     13  S   LIG    1        5.314  -1.831   0.178  0.00  0.00    -0.028 S 
ATOM     14  C   LIG    1        6.581  -1.747  -0.954  0.00  0.00    +0.185 A 
ATOM     15  C   LIG    1        6.258  -0.904  -1.990  0.00  0.00    +0.153 A 
ATOM     16  N   LIG    1        5.007  -0.324  -1.887  0.00  0.00    -0.231 NA
BRANCH  14  17
ATOM     17  N   LIG    1        7.793  -2.481  -0.786  0.00  0.00    +0.065 N 
ATOM     18  O   LIG    1        8.645  -2.347  -1.674  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1        7.912  -3.191   0.221  0.00  0.00    -0.126 OA
ENDBRANCH  14  17
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  20
ATOM     20  N   LIG    1       -2.491  -0.286  -0.884  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1       -2.374  -0.283  -1.896  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.853   0.049  -0.479  0.00  0.00    +0.101 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.395  -1.009   0.484  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -6.868  -0.614  -0.008  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -5.774  -0.662   1.048  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7