REMARK  Name = BDB026645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.524  -1.139   0.178  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -1.224  -0.450   0.432  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.896  -2.473   0.223  0.00  0.00    +0.237 C 
ATOM      4  O   LIG    1       -0.175  -3.426  -0.070  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        4.166  -1.638  -1.459  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1        3.023  -0.755  -1.028  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        3.146   0.650  -0.992  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1        2.034   1.407  -0.589  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.836   0.791  -0.215  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.716  -0.601  -0.230  0.00  0.00    +0.034 A 
ATOM     11  C   LIG    1        1.812  -1.363  -0.636  0.00  0.00    +0.027 A 
BRANCH   7  12
ATOM     12  C   LIG    1        4.387   1.347  -1.358  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        4.487   2.049  -2.563  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        5.676   2.696  -2.862  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        6.756   2.696  -2.053  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        6.641   2.015  -0.893  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        5.496   1.338  -0.506  0.00  0.00    +0.028 A 
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   3  18
ATOM     18  C   LIG    1       -2.292  -2.747   0.762  0.00  0.00    +0.219 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.259  -1.706   0.477  0.00  0.00    -0.325 N 
ATOM     20  C   LIG    1       -3.751  -0.764   1.337  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1       -3.471  -0.579   2.783  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -3.990   0.804   3.233  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -5.381   1.137   2.651  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -5.386   1.147   1.107  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1       -4.620  -0.010   0.581  0.00  0.00    +0.062 A 
ATOM     26  N   LIG    1       -4.655  -0.447  -0.711  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1       -3.839  -1.479  -0.744  0.00  0.00    +0.200 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4