REMARK  Name = BDB016031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.636   2.119   0.034  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.158   1.066   0.308  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.490   1.263   0.379  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.050   2.530   0.206  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.145   3.541  -0.065  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.189   3.369  -0.165  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.993   0.305  -0.034  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.618   0.569   0.070  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.088   1.870  -0.069  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.001   2.911  -0.314  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.372   2.668  -0.417  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.865   1.371  -0.278  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.715  -3.829  -0.461  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.697  -2.876  -0.093  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.687  -3.262   0.706  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.952  -2.154   0.834  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.483  -1.056   0.117  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.619  -1.568  -0.476  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.469   2.813   0.317  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.168   3.697  -0.481  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.463   3.659  -0.049  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.579   4.405  -0.579  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.660   2.820   0.982  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.447   2.304   1.203  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.312   0.155   0.662  0.00  0.00    -0.324 N 
ATOM     26  H   LIG    1       -3.062   0.107  -0.032  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.635  -1.148   0.729  0.00  0.00    +0.090 C 
ATOM     28  C   LIG    1       -1.290  -1.694  -0.681  0.00  0.00    +0.074 C 
ATOM     29  N   LIG    1       -2.594  -2.278  -1.087  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -2.480  -2.810  -1.951  0.00  0.00    +0.123 HD
ATOM     31  C   LIG    1       -2.713  -3.196   0.062  0.00  0.00    +0.056 C 
ATOM     32  C   LIG    1       -1.408  -3.992  -0.038  0.00  0.00    +0.020 C 
ATOM     33  C   LIG    1       -0.417  -2.946  -0.556  0.00  0.00    +0.022 C 
ATOM     34  C   LIG    1       -2.642  -2.207   1.231  0.00  0.00    +0.042 C 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 5