REMARK  Name = BDB063960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.239   1.479   3.803  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.901   1.006   2.737  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.730   0.714   1.537  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.041   0.982   1.501  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.931   0.176   0.550  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.258   0.140   1.073  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.335   0.611   2.339  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.143   0.660   2.935  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.956   0.752   0.371  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.015   1.656   0.183  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.919   1.437  -0.872  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.803   0.341  -1.729  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.768   0.256  -2.721  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.595   1.269  -2.613  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.748  -0.567  -1.521  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.288   2.374  -1.342  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.842  -0.356  -0.473  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.339  -0.333   0.408  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -1.157  -0.526  -0.574  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.716  -0.060   0.747  0.00  0.00    +0.132 C 
ATOM     21  C   LIG    1       -3.250  -1.047   1.826  0.00  0.00    +0.143 C 
ATOM     22  C   LIG    1       -3.945  -2.207   1.087  0.00  0.00    +0.069 C 
ATOM     23  C   LIG    1       -4.323  -1.564  -0.213  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -5.199  -2.048  -1.171  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.378  -1.307  -2.340  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.677  -0.108  -2.542  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.788   0.367  -1.577  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -3.620  -0.371  -0.414  0.00  0.00    -0.022 A 
BRANCH  21  29
ATOM     29  O   LIG    1       -4.178  -0.375   2.695  0.00  0.00    -0.389 OA
ATOM     30  H   LIG    1       -4.980  -0.178   2.175  0.00  0.00    +0.210 HD
ENDBRANCH  21  29
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4