REMARK  Name = BDB063987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.304   0.510   0.581  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.874  -0.565   1.169  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        1.796  -0.602   1.584  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.051  -1.634   1.038  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.219  -2.780   1.404  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.112  -1.045   0.317  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -2.178  -1.782  -0.022  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -0.871   0.290   0.070  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -3.372  -1.319  -0.747  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -3.917  -0.041  -0.552  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -5.082   0.318  -1.255  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.718  -0.564  -2.131  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.855  -0.071  -2.751  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -7.071   1.160  -2.350  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -5.173  -1.849  -2.306  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -5.956   1.804  -1.223  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -4.012  -2.215  -1.611  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        0.913   1.723   0.531  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        0.278   2.443   0.203  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.913   2.183   1.476  0.00  0.00    +0.161 C 
BRANCH  20  25
ATOM     21  C   LIG    1        6.931  -0.402   0.613  0.00  0.00    +0.067 C 
ATOM     22  C   LIG    1        5.621   0.285   0.836  0.00  0.00    +0.056 A 
ATOM     23  N   LIG    1        5.384   1.438   0.166  0.00  0.00    -0.257 NA
ATOM     24  C   LIG    1        4.184   2.022   0.392  0.00  0.00    +0.136 A 
ATOM     25  C   LIG    1        3.244   1.498   1.271  0.00  0.00    +0.076 A 
ATOM     26  N   LIG    1        3.473   0.330   1.935  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1        4.676  -0.253   1.702  0.00  0.00    +0.134 A 
ENDBRANCH  20  25
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4