REMARK  Name = BDB041118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.590   2.244  -0.115  0.00  0.00    +0.166 A 
ATOM      2  C   LIG    1       -1.691   3.477  -0.746  0.00  0.00    +0.192 A 
ATOM      3  C   LIG    1       -2.918   4.079  -0.951  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -2.655   5.303  -1.607  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1       -1.287   5.366  -1.765  0.00  0.00    +0.198 A 
ATOM      6  N   LIG    1       -4.084   3.525  -0.562  0.00  0.00    -0.224 NA
ATOM      7  C   LIG    1       -3.929   2.323   0.032  0.00  0.00    +0.163 A 
ATOM      8  O   LIG    1       -0.689   4.257  -1.247  0.00  0.00    -0.458 OA
ATOM      9  N   LIG    1       -2.759   1.678   0.272  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -5.159   1.665   0.510  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -5.524   0.333   0.175  0.00  0.00    -0.034 A 
ATOM     12  C   LIG    1       -6.699  -0.212   0.738  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -7.518   0.536   1.582  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -7.183   1.847   1.887  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.018   2.401   1.357  0.00  0.00    +0.012 A 
BRANCH  11  16
ATOM     16  C   LIG    1       -4.691  -0.525  -0.776  0.00  0.00    +0.014 C 
ATOM     17  C   LIG    1       -3.951  -1.623  -0.010  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -5.529  -1.128  -1.911  0.00  0.00    +0.012 C 
ENDBRANCH  11  16
ENDBRANCH   7  10
BRANCH   1  19
ATOM     19  N   LIG    1       -0.367   1.622   0.118  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1        0.368   1.980  -0.485  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -0.416   0.179   0.253  0.00  0.00    +0.138 C 
BRANCH  21  25
ATOM     22  C   LIG    1        3.637  -1.328   0.460  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        2.881  -1.507  -0.698  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        1.569  -1.023  -0.765  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        0.995  -0.358   0.326  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        1.763  -0.173   1.482  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.072  -0.657   1.546  0.00  0.00    +0.046 A 
BRANCH  22  28
ATOM     28  O   LIG    1        4.923  -1.750   0.657  0.00  0.00    -0.490 OA
BRANCH  28  29
ATOM     29  C   LIG    1        5.544  -2.471  -0.412  0.00  0.00    +0.257 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.957  -2.867   0.020  0.00  0.00    +0.200 C 
BRANCH  30  31
ATOM     31  O   LIG    1        7.813  -1.722  -0.050  0.00  0.00    -0.377 OA
BRANCH  31  33
ATOM     32  C   LIG    1        9.990  -2.772  -0.380  0.00  0.00    +0.034 C 
ATOM     33  C   LIG    1        9.100  -1.938   0.524  0.00  0.00    +0.156 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  22  28
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 10