REMARK  Name = BDB063991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.258  -1.307  -2.499  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.010  -0.571  -1.566  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.315  -0.204  -0.994  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.460  -0.664  -1.514  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.134   0.647   0.076  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.155   0.799   0.158  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.863   0.125  -0.775  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.871   0.080  -0.852  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.821  -0.360  -1.044  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.127  -0.223   0.319  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.457   0.034   0.696  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.484   0.143  -0.244  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.744   0.397   0.276  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.667   0.476   1.584  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.169  -0.014  -1.607  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.116   0.257   2.274  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.846  -0.269  -1.991  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.739   1.574   1.108  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.045   2.111   1.619  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.010   2.262   0.941  0.00  0.00    +0.167 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.232   1.379   0.876  0.00  0.00    +0.097 A 
ATOM     22  S   LIG    1       -4.309   1.277   2.208  0.00  0.00    -0.071 S 
ATOM     23  C   LIG    1       -5.277   0.146   1.343  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -4.705  -0.077   0.089  0.00  0.00    +0.079 A 
ATOM     25  C   LIG    1       -5.333  -0.979  -0.794  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1       -6.509  -1.627  -0.404  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -7.063  -1.388   0.850  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.458  -0.499   1.744  0.00  0.00    +0.017 A 
ATOM     29  N   LIG    1       -3.539   0.629  -0.167  0.00  0.00    -0.242 NA
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4