REMARK  Name = BDB014572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.676  -0.571  -0.183  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.403   0.372  -0.273  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1        0.295   0.850  -1.115  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -0.404  -1.545   0.979  0.00  0.00    +0.136 C 
BRANCH   4   7
ATOM      5  O   LIG    1        2.964  -2.761   0.548  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1        2.078  -2.077   1.062  0.00  0.00    +0.239 C 
ATOM      7  N   LIG    1        0.777  -2.371   0.749  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        0.707  -3.102   0.054  0.00  0.00    +0.149 HD
BRANCH   6   9
ATOM      9  C   LIG    1        2.352  -0.936   2.062  0.00  0.00    +0.255 C 
BRANCH   9  10
ATOM     10  O   LIG    1        3.663  -0.824   2.600  0.00  0.00    -0.365 OA
BRANCH  10  11
ATOM     11  C   LIG    1        4.660  -0.381   1.675  0.00  0.00    +0.145 C 
ATOM     12  C   LIG    1        6.039  -0.617   2.303  0.00  0.00    +0.191 C 
ATOM     13  O   LIG    1        7.141  -0.223   1.480  0.00  0.00    -0.377 OA
ATOM     14  C   LIG    1        6.849   0.799   0.530  0.00  0.00    +0.160 C 
ATOM     15  C   LIG    1        5.822   1.795   1.044  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1        4.489   1.107   1.337  0.00  0.00    +0.036 C 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   4   7
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -1.997   0.207   0.026  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.196  -0.642   0.109  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -3.618  -1.181  -1.199  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -4.309  -0.185  -2.106  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -4.952   0.949  -1.577  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -5.622   1.832  -2.434  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.667   1.582  -3.805  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.043   0.454  -4.331  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.864   1.251  -0.102  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -4.371  -0.429  -3.486  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.336   0.066   0.720  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8