REMARK  Name = BDB027650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.196  -0.915  -0.351  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.195  -1.996  -1.163  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.566  -2.114  -1.390  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.963  -3.169  -2.199  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.144  -4.089  -2.773  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.168  -3.958  -2.521  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.467  -1.270  -0.872  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.007  -0.287  -0.085  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.686  -2.945  -1.735  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.706  -0.096   0.214  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.994   0.651   0.484  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        4.374   0.436   0.338  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        5.270   1.342   0.885  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.899   2.444   1.565  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        3.574   2.647   1.705  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        2.605   1.799   1.190  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.562  -0.710  -0.108  0.00  0.00    -0.321 N 
ATOM     18  H   LIG    1       -2.037  -0.701  -1.009  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.093   0.356   0.780  0.00  0.00    +0.056 C 
ATOM     20  C   LIG    1       -3.635   0.317   0.648  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1       -3.958   1.094  -0.629  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -2.743   1.973  -0.912  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -1.794   1.771   0.266  0.00  0.00    +0.028 C 
BRANCH  19  24
ATOM     24  C   LIG    1       -1.706   0.118   2.261  0.00  0.00    +0.181 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -0.396   0.575   2.578  0.00  0.00    -0.393 OA
ATOM     26  H   LIG    1        0.175   0.223   1.865  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  19  24
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5