REMARK  Name = BDB062170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.333   0.774   0.096  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1       -3.113   0.118   0.137  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -2.162   0.064  -0.973  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -1.351  -1.228  -0.952  0.00  0.00    +0.038 C 
ATOM      5  C   LIG    1       -0.526  -1.394   0.364  0.00  0.00    +0.060 C 
ATOM      6  C   LIG    1       -1.321  -0.779   1.561  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1       -2.822  -0.716   1.302  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -5.221   0.620   0.931  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -0.367  -2.889   0.567  0.00  0.00    +0.159 A 
ATOM     10  N   LIG    1        0.639  -3.635   0.012  0.00  0.00    -0.242 N 
ATOM     11  H   LIG    1        1.423  -3.347  -0.561  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1        0.494  -4.922   0.347  0.00  0.00    -0.047 NA
ATOM     13  N   LIG    1       -0.596  -4.963   1.099  0.00  0.00    -0.023 NA
ATOM     14  N   LIG    1       -1.145  -3.712   1.240  0.00  0.00    -0.113 NA
ENDBRANCH   5   9
BRANCH   5  15
ATOM     15  C   LIG    1        0.870  -0.720   0.349  0.00  0.00    -0.030 A 
ATOM     16  C   LIG    1        1.364   0.019  -0.739  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        2.641   0.601  -0.722  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        3.446   0.454   0.403  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1        2.980  -0.269   1.500  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        1.710  -0.847   1.475  0.00  0.00    +0.005 A 
BRANCH  17  21
ATOM     21  O   LIG    1        2.958   1.282  -1.864  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.255   1.866  -1.986  0.00  0.00    +0.225 C 
ATOM     23  C   LIG    1        4.277   3.265  -1.394  0.00  0.00    +0.048 C 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   5  15
BRANCH   1  25
ATOM     24  C   LIG    1       -3.820   2.763  -1.278  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -4.591   1.695  -1.038  0.00  0.00    +0.060 C 
ENDBRANCH   1  25
TORSDOF 5