REMARK  Name = BDB016091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.630   2.030   0.033  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.736   3.377  -0.322  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.439   3.973  -0.743  0.00  0.00    +0.125 A 
ATOM      4  N   LIG    1        1.627   3.342  -0.827  0.00  0.00    -0.235 NA
ATOM      5  C   LIG    1        1.629   2.044  -0.483  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1        0.542   1.372  -0.057  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.978   4.128  -0.284  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -2.102   5.436   0.138  0.00  0.00    +0.116 A 
ATOM      9  N   LIG    1       -3.426   5.751   0.021  0.00  0.00    -0.274 N 
ATOM     10  C   LIG    1       -4.053   7.009   0.345  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1       -4.176   4.739  -0.445  0.00  0.00    -0.179 NA
ATOM     12  C   LIG    1       -3.294   3.755  -0.639  0.00  0.00    +0.143 A 
ENDBRANCH   2   7
BRANCH   5  13
ATOM     13  C   LIG    1        2.901   1.298  -0.578  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.969  -0.075  -0.259  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.164  -0.808  -0.351  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        5.325  -0.150  -0.768  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        5.290   1.207  -1.087  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.092   1.919  -0.994  0.00  0.00    +0.011 A 
BRANCH  15  19
ATOM     19  C   LIG    1        4.174  -2.221  -0.012  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        5.017  -3.169  -0.554  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1        4.676  -4.361   0.018  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1        5.276  -5.648  -0.233  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        3.662  -4.263   0.896  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1        3.361  -2.962   0.879  0.00  0.00    +0.142 A 
ENDBRANCH  15  19
ENDBRANCH   5  13
BRANCH   1  25
ATOM     25  N   LIG    1       -1.769   1.324   0.479  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -2.193   1.875   1.225  0.00  0.00    +0.148 HD
BRANCH  25  32
ATOM     27  C   LIG    1       -3.263  -4.924  -0.216  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1       -3.946  -3.702   0.348  0.00  0.00    +0.212 C 
ATOM     29  N   LIG    1       -3.201  -2.532   0.396  0.00  0.00    -0.302 N 
ATOM     30  C   LIG    1       -1.839  -2.409  -0.122  0.00  0.00    +0.109 C 
ATOM     31  C   LIG    1       -1.458  -0.962  -0.398  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -1.582  -0.087   0.863  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1       -2.761  -0.529   1.754  0.00  0.00    +0.041 C 
ATOM     34  C   LIG    1       -3.799  -1.336   0.985  0.00  0.00    +0.109 C 
ATOM     35  O   LIG    1       -5.112  -3.768   0.737  0.00  0.00    -0.276 OA
ENDBRANCH  25  32
ENDBRANCH   1  25
TORSDOF 5