REMARK  Name = BDB008002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.560  -0.713  -0.981  0.00  0.00    +0.117 A 
ATOM      2  C   LIG    1       -1.153  -0.790  -0.931  0.00  0.00    +0.109 A 
ATOM      3  C   LIG    1       -0.584  -1.626  -1.893  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1        0.800  -1.714  -1.849  0.00  0.00    +0.226 A 
ATOM      5  N   LIG    1        1.605  -1.082  -0.995  0.00  0.00    -0.159 NA
ATOM      6  C   LIG    1        0.967  -0.297  -0.123  0.00  0.00    +0.322 A 
ATOM      7  C   LIG    1       -1.370  -2.317  -2.835  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -2.735  -2.149  -2.800  0.00  0.00    +0.112 A 
ATOM      9  N   LIG    1       -0.356  -0.120  -0.060  0.00  0.00    -0.192 NA
ATOM     10  N   LIG    1       -3.346  -1.363  -1.902  0.00  0.00    -0.251 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -6.146   1.968   1.153  0.00  0.00    +0.150 C 
ATOM     12  N   LIG    1       -4.920   1.258   0.899  0.00  0.00    -0.339 N 
ATOM     13  C   LIG    1       -4.582   0.605  -0.250  0.00  0.00    +0.116 A 
ATOM     14  C   LIG    1       -3.319   0.090  -0.020  0.00  0.00    +0.109 A 
ATOM     15  N   LIG    1       -2.911   0.412   1.258  0.00  0.00    -0.234 NA
ATOM     16  C   LIG    1       -3.888   1.119   1.778  0.00  0.00    +0.199 A 
ENDBRANCH   1  14
BRANCH   4  17
ATOM     17  O   LIG    1        1.480  -2.496  -2.734  0.00  0.00    -0.492 OA
ATOM     18  H   LIG    1        2.398  -2.332  -2.450  0.00  0.00    +0.294 HD
ENDBRANCH   4  17
BRANCH   6  19
ATOM     19  O   LIG    1        1.687   0.430   0.800  0.00  0.00    -0.462 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.081   0.128   0.802  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.729   0.960   1.907  0.00  0.00    +0.050 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.191   0.613   2.183  0.00  0.00    +0.116 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.110   0.804   0.996  0.00  0.00    +0.390 C 
ATOM     24  F   LIG    1        6.020   2.055   0.499  0.00  0.00    -0.171 F 
ATOM     25  F   LIG    1        7.395   0.595   1.355  0.00  0.00    -0.171 F 
ATOM     26  F   LIG    1        5.822  -0.063   0.003  0.00  0.00    -0.171 F 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7