REMARK  Name = BDB008522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.017   1.726   0.987  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -2.207   1.194   0.665  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -3.305   1.966   0.748  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -3.224   3.285   1.141  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -1.972   3.753   1.446  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.866   2.997   1.381  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.057   0.848   0.884  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -0.290  -0.052   0.589  0.00  0.00    +0.155 HD
BRANCH   7  11
ATOM      9  C   LIG    1        3.628  -0.154   1.103  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1        2.236  -0.182   0.912  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        1.435   0.960   1.097  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        2.071   2.140   1.486  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        3.455   2.185   1.686  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        4.230   1.043   1.497  0.00  0.00    +0.004 A 
BRANCH   9  15
ATOM     15  C   LIG    1        4.457  -1.397   0.892  0.00  0.00    +0.035 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.503  -1.882  -0.563  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.111  -0.895  -1.567  0.00  0.00    +0.015 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.574  -0.560  -1.278  0.00  0.00    +0.077 C 
BRANCH  18  19
ATOM     19  N   LIG    1        7.111   0.294  -2.331  0.00  0.00    -0.330 NA
ATOM     20  H   LIG    1        8.061   0.575  -2.089  0.00  0.00    +0.118 HD
ATOM     21  H   LIG    1        6.564   1.153  -2.386  0.00  0.00    +0.118 HD
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   9  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  N   LIG    1       -4.586   1.457   0.419  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1       -5.239   1.681   1.162  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.909   0.240  -0.222  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1       -6.182  -0.317  -0.024  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1       -6.579  -1.499  -0.676  0.00  0.00    +0.057 A 
ATOM     27  C   LIG    1       -5.694  -2.109  -1.573  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -4.440  -1.549  -1.808  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.059  -0.380  -1.144  0.00  0.00    +0.023 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -7.955  -2.071  -0.446  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1       -8.009  -3.423  -0.607  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -8.881  -1.554  -1.300  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -8.429  -1.829   0.809  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 10