REMARK  Name = BDB063979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.588   0.244   0.357  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.067   1.036  -0.517  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.316   1.798  -1.046  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.393   0.751  -0.466  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.287   1.289  -1.085  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.442  -0.357   0.535  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.512  -1.049   0.947  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.161  -0.600   0.998  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.900  -0.869   0.513  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.580   0.336   0.746  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.919   0.443   0.332  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.590  -0.615  -0.286  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.907  -0.364  -0.634  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.222   0.864  -0.290  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.896  -1.823  -0.498  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.994   1.784   0.468  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.561  -1.940  -0.094  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.929   0.344   0.531  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -2.245  -0.305   1.251  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.858   0.267  -0.601  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.227   0.723  -0.118  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1       -5.171  -0.157   0.432  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -6.410   0.309   0.877  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.722   1.663   0.791  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.792   2.555   0.266  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.553   2.091  -0.180  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -2.816  -1.161  -1.241  0.00  0.00    +0.104 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.684  -2.273  -0.281  0.00  0.00    -0.328 NA
ATOM     29  H   LIG    1       -2.614  -3.150  -0.798  0.00  0.00    +0.118 HD
ATOM     30  H   LIG    1       -1.787  -2.179   0.207  0.00  0.00    +0.118 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6