REMARK  Name = BDB014461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.067  -2.010  -1.069  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.083  -2.614  -1.887  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1       -0.947  -2.319  -2.803  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        1.285  -2.653  -1.445  0.00  0.00    +0.136 C 
BRANCH   4   7
ATOM      5  O   LIG    1        1.839  -3.336   1.234  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        2.586  -2.553   0.654  0.00  0.00    +0.217 C 
ATOM      7  N   LIG    1        2.418  -2.194  -0.667  0.00  0.00    -0.313 N 
ATOM      8  H   LIG    1        2.980  -1.433  -1.031  0.00  0.00    +0.149 HD
BRANCH   6   9
ATOM      9  C   LIG    1        3.805  -1.948   1.333  0.00  0.00    +0.130 C 
BRANCH   9  10
ATOM     10  C   LIG    1        3.902  -0.448   1.180  0.00  0.00    -0.039 A 
ATOM     11  C   LIG    1        4.942   0.129   0.438  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        5.008   1.514   0.276  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.039   2.332   0.854  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        3.007   1.769   1.601  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        2.940   0.385   1.767  0.00  0.00    +0.004 A 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   4   7
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.048  -0.473  -1.281  0.00  0.00    +0.117 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -1.156   0.331  -0.735  0.00  0.00    -0.295 NA
ATOM     18  C   LIG    1       -2.478  -0.040  -1.265  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1       -3.590   0.834  -0.719  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -3.438   1.501   0.511  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -4.493   2.270   1.021  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.699   2.357   0.327  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.860   1.681  -0.881  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.121   1.439   1.244  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1       -4.813   0.920  -1.400  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -1.201   0.319   0.733  0.00  0.00    +0.089 C 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7