REMARK  Name = BDB008003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.629  -3.162  -0.796  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1        0.670  -4.268   0.052  0.00  0.00    +0.136 A 
ATOM      3  F   LIG    1       -0.440  -4.975   0.312  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.866  -4.649   0.657  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        3.028  -3.917   0.409  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        2.970  -2.811  -0.441  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        1.787  -2.434  -1.073  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -3.780   1.128   1.087  0.00  0.00    +0.219 C 
ATOM      9  N   LIG    1       -3.199   0.025   0.474  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -2.640  -1.035   1.319  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1       -1.387  -1.670   0.698  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1       -1.576  -2.086  -0.700  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -0.628  -2.775  -1.447  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1       -0.753  -3.044  -2.639  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.824  -1.676  -1.340  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1       -3.218  -0.237  -0.973  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1       -3.864   1.206   2.314  0.00  0.00    -0.275 OA
BRANCH   8  18
ATOM     18  C   LIG    1       -4.241   2.289   0.190  0.00  0.00    +0.075 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -6.644   2.389   1.040  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -5.325   3.136   0.889  0.00  0.00    +0.009 C 
ENDBRANCH  18  20
BRANCH  18  21
ATOM     21  C   LIG    1       -3.008   3.151  -0.153  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -3.214   4.002  -1.398  0.00  0.00    +0.004 C 
ENDBRANCH  18  21
ENDBRANCH   8  18
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  O   LIG    1        4.154  -2.111  -0.701  0.00  0.00    -0.436 OA
BRANCH  23  24
ATOM     24  C   LIG    1        4.282  -0.892  -0.056  0.00  0.00    +0.246 A 
ATOM     25  C   LIG    1        5.557  -0.247  -0.405  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1        5.812   0.984   0.194  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1        7.002   1.669  -0.075  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        7.936   1.114  -0.951  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        7.681  -0.119  -1.556  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.811   1.555   1.115  0.00  0.00    +0.273 A 
ATOM     31  O   LIG    1        5.000   2.631   1.672  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        3.667   0.814   1.312  0.00  0.00    -0.239 N 
ATOM     33  H   LIG    1        2.973   1.190   1.951  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1        6.492  -0.802  -1.288  0.00  0.00    +0.014 A 
ATOM     35  N   LIG    1        3.392  -0.399   0.749  0.00  0.00    -0.132 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 6