REMARK  Name = BDB016476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.563  -0.378  -4.388  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -0.215   0.090  -3.200  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        0.369   0.374  -1.972  0.00  0.00    +0.125 A 
ATOM      4  N   LIG    1       -0.367   0.764  -0.918  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -1.697   0.881  -1.086  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -2.346   0.661  -2.240  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -1.584   0.263  -3.271  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.480   1.348   0.072  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.653   0.704   0.547  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -4.356   1.280   1.628  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.903   2.438   2.259  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.737   3.050   1.823  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.038   2.511   0.743  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -4.176  -0.592  -0.071  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.418  -0.326  -0.924  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -4.465  -1.675   0.978  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        1.760   0.209  -1.824  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        2.231   0.742  -2.549  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.317   0.519  -0.502  0.00  0.00    +0.106 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.145  -0.668   0.471  0.00  0.00    +0.008 C 
ATOM     21  C   LIG    1        2.365  -0.221   1.921  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1        3.817   0.194   2.198  0.00  0.00    +0.084 C 
ATOM     23  N   LIG    1        4.798  -0.516   1.364  0.00  0.00    -0.305 NA
ATOM     24  C   LIG    1        6.115  -0.520   1.995  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1        4.353  -1.869   1.034  0.00  0.00    +0.084 C 
ATOM     26  C   LIG    1        3.111  -1.823   0.132  0.00  0.00    +0.020 C 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5