REMARK  Name = BDB054505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.058  -0.132   0.036  0.00  0.00    +0.005 C 
ATOM      2  C   LIG    1       -0.910  -0.911  -0.648  0.00  0.00    +0.067 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -2.232  -1.343  -0.133  0.00  0.00    +0.237 C 
ATOM      4  N   LIG    1       -2.886  -0.427   0.651  0.00  0.00    -0.312 N 
ATOM      5  H   LIG    1       -2.513   0.509   0.726  0.00  0.00    +0.149 HD
ATOM      6  O   LIG    1       -2.692  -2.429  -0.465  0.00  0.00    -0.271 OA
BRANCH   4   7
ATOM      7  C   LIG    1       -4.231  -0.664   1.133  0.00  0.00    +0.107 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.304  -0.336   0.083  0.00  0.00    -0.000 C 
ATOM      9  C   LIG    1       -5.317   1.155  -0.262  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1       -6.681  -0.766   0.590  0.00  0.00    +0.009 C 
ENDBRANCH   7   8
ENDBRANCH   4   7
ENDBRANCH   2   3
BRANCH   1  12
ATOM     11  C   LIG    1        2.099   1.015   0.202  0.00  0.00    -0.027 C 
ATOM     12  C   LIG    1        1.238   0.245  -0.481  0.00  0.00    -0.004 C 
BRANCH  11  13
ATOM     13  C   LIG    1        3.450   1.419  -0.321  0.00  0.00    +0.031 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.579   0.866   0.554  0.00  0.00    +0.031 C 
BRANCH  14  17
ATOM     15  C   LIG    1        6.783  -0.883  -0.906  0.00  0.00    +0.035 C 
ATOM     16  C   LIG    1        6.864   0.565  -0.545  0.00  0.00    -0.034 C 
ATOM     17  C   LIG    1        5.927   1.313   0.059  0.00  0.00    -0.031 C 
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  12
TORSDOF 7