REMARK  Name = BDB062765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.391  -0.282  -3.154  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        0.162  -1.214  -2.836  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.512   0.712  -2.815  0.00  0.00    +0.234 C 
ATOM      4  O   LIG    1       -0.206   1.902  -2.764  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.962   0.196  -2.621  0.00  0.00    +0.162 C 
ATOM      6  N   LIG    1       -2.713   1.020  -1.676  0.00  0.00    -0.289 N 
ATOM      7  C   LIG    1       -2.664   0.990  -0.295  0.00  0.00    +0.234 C 
ATOM      8  O   LIG    1       -3.193   1.886   0.366  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1       -3.470   2.028  -2.383  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -3.864   1.320  -3.666  0.00  0.00    +0.021 C 
ATOM     11  C   LIG    1       -2.700   0.372  -3.960  0.00  0.00    +0.033 C 
BRANCH   7  12
ATOM     12  C   LIG    1       -1.965  -0.241   0.384  0.00  0.00    +0.143 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.170  -0.363   1.937  0.00  0.00    -0.014 C 
ATOM     14  C   LIG    1       -3.675  -0.409   2.284  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -1.504   0.784   2.721  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -1.567  -1.697   2.449  0.00  0.00    +0.012 C 
ENDBRANCH  12  13
BRANCH  12  17
ATOM     17  N   LIG    1       -0.541  -0.255  -0.009  0.00  0.00    -0.320 NA
ATOM     18  H   LIG    1       -0.011  -0.925   0.542  0.00  0.00    +0.119 HD
ATOM     19  H   LIG    1       -0.131   0.659   0.204  0.00  0.00    +0.119 HD
ENDBRANCH  12  17
ENDBRANCH   7  12
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  C   LIG    1        1.801   0.016  -3.278  0.00  0.00    +0.139 C 
BRANCH  20  24
ATOM     21  C   LIG    1        3.767  -0.436   0.554  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        3.263   0.807   0.153  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        2.640   0.953  -1.089  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        2.511  -0.140  -1.956  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        3.007  -1.386  -1.553  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.631  -1.532  -0.310  0.00  0.00    +0.009 A 
BRANCH  21  29
ATOM     27  C   LIG    1        2.527   0.085   3.491  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1        3.902  -0.358   3.136  0.00  0.00    +0.053 A 
ATOM     29  C   LIG    1        4.403  -0.586   1.861  0.00  0.00    +0.042 A 
ATOM     30  S   LIG    1        6.042  -1.097   1.972  0.00  0.00    -0.075 S 
ATOM     31  C   LIG    1        5.953  -0.973   3.675  0.00  0.00    +0.156 A 
ATOM     32  N   LIG    1        4.800  -0.585   4.170  0.00  0.00    -0.252 NA
ENDBRANCH  21  29
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 7