REMARK  Name = BDB050994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.964   0.373  -0.214  0.00  0.00    +0.049 A 
ATOM      2  N   LIG    1       -1.279   1.499   0.181  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1       -1.712   2.358   0.487  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        0.080   1.289   0.125  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        0.273  -0.013  -0.330  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.589  -0.490  -0.484  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        2.676   0.349  -0.181  0.00  0.00    -0.046 A 
ATOM      8  C   LIG    1        2.440   1.650   0.279  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.140   2.145   0.438  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -1.015  -0.578  -0.539  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -3.526  -1.482   1.544  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1       -4.175  -0.545   0.565  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -3.422   0.317  -0.246  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1       -4.118   1.161  -1.120  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -5.508   1.125  -1.167  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.165   0.241  -0.331  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -5.535  -0.587   0.528  0.00  0.00    -0.260 NA
ENDBRANCH   1  13
BRANCH   7  18
ATOM     18  C   LIG    1        4.089  -0.164  -0.322  0.00  0.00    +0.046 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.569  -0.838   0.960  0.00  0.00    +0.125 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.976  -1.341   0.808  0.00  0.00    +0.305 C 
ATOM     21  O   LIG    1        6.698  -1.245  -0.169  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1        6.415  -1.953   1.925  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1        7.328  -2.232   1.704  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   7  18
TORSDOF 5