REMARK  Name = BDB008947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.877   0.182  -2.261  0.00  0.00    +0.092 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.624   1.078  -1.277  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -2.636   0.480  -0.352  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.910  -0.997  -0.355  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1       -3.733  -1.467   0.848  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -4.880  -0.508   1.143  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -4.355   0.900   1.428  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -3.279   1.330   0.469  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -2.947   2.777   0.454  0.00  0.00    +0.268 A 
ATOM     10  O   LIG    1       -3.503   3.575   1.200  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1       -1.986   3.160  -0.442  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -1.738   4.143  -0.465  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1       -1.328   2.344  -1.308  0.00  0.00    -0.175 NA
ENDBRANCH   1   2
BRANCH   1  18
ATOM     14  C   LIG    1        2.343  -0.559  -0.381  0.00  0.00    +0.126 A 
ATOM     15  N   LIG    1        2.566  -1.883  -0.624  0.00  0.00    -0.250 NA
ATOM     16  C   LIG    1        1.659  -2.506  -1.404  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        0.541  -1.883  -1.941  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        0.316  -0.529  -1.664  0.00  0.00    -0.038 A 
ATOM     19  C   LIG    1        1.254   0.148  -0.878  0.00  0.00    +0.037 A 
BRANCH  14  22
ATOM     20  N   LIG    1        4.382  -0.682   0.912  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        4.367  -1.638   0.565  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        3.363   0.136   0.472  0.00  0.00    +0.262 C 
ATOM     23  O   LIG    1        3.278   1.330   0.734  0.00  0.00    -0.269 OA
BRANCH  20  25
ATOM     24  C   LIG    1        6.589   0.371   0.757  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        5.512  -0.194   1.666  0.00  0.00    +0.101 C 
ENDBRANCH  20  25
ENDBRANCH  14  22
ENDBRANCH   1  18
TORSDOF 4