REMARK  Name = BDB062355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.389  -1.995   0.481  0.00  0.00    +0.226 C 
ATOM      2  N   LIG    1        0.170  -1.527   0.988  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -0.339  -0.156   0.854  0.00  0.00    +0.114 C 
ATOM      4  C   LIG    1       -1.863  -0.017   0.668  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1       -2.691  -0.584   1.832  0.00  0.00    +0.165 C 
ATOM      6  O   LIG    1       -1.927  -0.619   3.031  0.00  0.00    -0.378 OA
ATOM      7  C   LIG    1       -1.100  -1.779   3.178  0.00  0.00    +0.178 C 
ATOM      8  C   LIG    1       -0.571  -2.427   1.886  0.00  0.00    +0.136 C 
ATOM      9  O   LIG    1        1.765  -3.143   0.753  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        2.269  -1.105  -0.464  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1        1.468  -0.934  -1.794  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1        2.301  -1.194  -3.048  0.00  0.00    +0.161 C 
ATOM     13  O   LIG    1        3.585  -0.609  -2.909  0.00  0.00    -0.380 OA
ATOM     14  C   LIG    1        4.384  -1.259  -1.922  0.00  0.00    +0.161 C 
ATOM     15  C   LIG    1        3.567  -1.900  -0.801  0.00  0.00    +0.049 C 
BRANCH  10  19
ATOM     16  C   LIG    1        3.611   2.520   1.605  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        3.514   1.308   2.282  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        3.089   0.156   1.609  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        2.731   0.188   0.247  0.00  0.00    -0.032 A 
ATOM     20  C   LIG    1        2.864   1.412  -0.425  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        3.290   2.561   0.249  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1        4.333   3.723   3.522  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        4.009   3.714   2.138  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  10  19
ENDBRANCH   1  10
BRANCH   4  24
ATOM     24  C   LIG    1       -2.313  -0.571  -0.697  0.00  0.00    +0.043 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.736  -0.207  -1.055  0.00  0.00    -0.036 A 
ATOM     26  C   LIG    1       -4.116   1.076  -1.513  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -5.448   1.338  -1.813  0.00  0.00    +0.066 A 
ATOM     28  N   LIG    1       -5.480   2.647  -2.219  0.00  0.00    -0.277 N 
ATOM     29  H   LIG    1       -6.288   3.182  -2.516  0.00  0.00    +0.189 HD
ATOM     30  N   LIG    1       -4.282   3.256  -2.210  0.00  0.00    -0.181 NA
ATOM     31  C   LIG    1       -6.462   0.386  -1.690  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -6.087  -0.882  -1.245  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -3.455   2.299  -1.781  0.00  0.00    +0.143 A 
ATOM     34  C   LIG    1       -4.757  -1.174  -0.935  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 5