REMARK  Name = BDB021616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.043  -0.052  -0.207  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -3.577   0.431   1.016  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -2.218   0.373   1.389  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1       -2.037   0.909   2.631  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -0.774   0.760   3.254  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        0.312   1.438   2.443  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        0.924   0.490   1.532  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.197  -0.320   0.662  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.757  -1.175  -0.027  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -1.288  -0.177   0.501  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -1.777  -0.669  -0.733  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.131  -0.612  -1.085  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1       -5.387   0.079  -0.397  0.00  0.00    -0.487 OA
BRANCH  13  17
ATOM     14  C   LIG    1       -9.581   0.817  -1.244  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1       -8.506  -0.148  -1.457  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1       -7.257   0.539  -1.855  0.00  0.00    +0.128 C 
ATOM     17  C   LIG    1       -5.962  -0.297  -1.660  0.00  0.00    +0.187 C 
ATOM     18  C   LIG    1       -6.295  -1.790  -1.663  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -7.343  -2.138  -0.600  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -8.289  -0.978  -0.271  0.00  0.00    +0.084 C 
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1        2.390   0.539   1.385  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.869   1.789   0.615  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.379   1.784  -0.732  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        2.746   2.558  -1.189  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        4.412   1.958   0.653  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.226   0.756   0.403  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        6.655   1.061   0.630  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        7.594  -0.072   0.278  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        7.189  -1.101  -0.588  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        8.086  -2.123  -0.925  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        9.388  -2.110  -0.426  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.800  -1.081   0.416  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.771  -1.138  -1.097  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        8.910  -0.065   0.765  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        5.051   0.211  -0.954  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 7