REMARK  Name = BDB008520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.409   0.590   2.442  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.102   0.565   1.137  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.061   1.104   0.736  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.911   1.719   1.625  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        1.521   1.712   2.940  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        0.378   1.152   3.370  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.596   0.044   2.925  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -1.634   0.177   3.925  0.00  0.00    +0.155 HD
BRANCH   7  11
ATOM      9  C   LIG    1       -3.745  -1.740   0.420  0.00  0.00    -0.037 A 
ATOM     10  C   LIG    1       -2.646  -1.075   0.994  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -2.644  -0.667   2.332  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -3.785  -0.951   3.097  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -4.880  -1.625   2.548  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.861  -2.019   1.213  0.00  0.00    +0.004 A 
BRANCH   9  15
ATOM     15  C   LIG    1       -3.704  -2.146  -1.035  0.00  0.00    +0.130 C 
BRANCH  15  19
ATOM     16  N   LIG    1       -4.411   0.041  -1.880  0.00  0.00    -0.329 N 
ATOM     17  H   LIG    1       -4.205   0.862  -2.434  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -4.875   0.200  -0.994  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1       -3.506  -0.979  -1.986  0.00  0.00    +0.215 C 
ATOM     20  O   LIG    1       -2.628  -0.947  -2.844  0.00  0.00    -0.276 OA
ENDBRANCH  15  19
ENDBRANCH   9  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  21
ATOM     21  N   LIG    1        1.308   1.047  -0.638  0.00  0.00    -0.299 N 
ATOM     22  H   LIG    1        0.505   0.616  -1.092  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.489   0.915  -1.387  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        3.730   0.581  -0.834  0.00  0.00    +0.035 A 
ATOM     25  C   LIG    1        4.891   0.505  -1.626  0.00  0.00    +0.057 A 
ATOM     26  C   LIG    1        4.797   0.758  -3.000  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        3.570   1.092  -3.567  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        2.430   1.172  -2.764  0.00  0.00    +0.023 A 
BRANCH  25  29
ATOM     29  C   LIG    1        6.207   0.114  -1.002  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        7.288   0.575  -1.692  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        6.364  -1.236  -0.920  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        6.352   0.586   0.269  0.00  0.00    -0.166 F 
ENDBRANCH  25  29
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 7