REMARK  Name = BDB045007
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.433   0.216   1.875  0.00  0.00    +0.068 A 
ATOM      2  C   LIG    1       -0.764   0.673   1.291  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -1.853   1.044   2.095  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -1.710   0.999   3.490  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -0.528   0.546   4.072  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.544   0.150   3.269  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        3.401  -0.861   0.186  0.00  0.00    +0.113 A 
ATOM      8  N   LIG    1        2.542  -0.562  -0.837  0.00  0.00    -0.129 NA
ATOM      9  N   LIG    1        1.399  -0.144  -0.314  0.00  0.00    -0.060 NA
ATOM     10  N   LIG    1        1.512  -0.170   1.036  0.00  0.00    -0.219 N 
ATOM     11  C   LIG    1        2.765  -0.620   1.384  0.00  0.00    +0.144 A 
BRANCH   7  15
ATOM     12  C   LIG    1        7.027  -2.206  -2.961  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        6.543  -1.993  -1.557  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1        5.240  -1.529  -1.319  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        4.755  -1.351  -0.013  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        5.602  -1.658   1.061  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        6.896  -2.135   0.834  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        7.362  -2.306  -0.468  0.00  0.00    +0.003 A 
ENDBRANCH   7  15
ENDBRANCH   1  10
BRANCH   3  19
ATOM     19  C   LIG    1       -3.143   1.511   1.503  0.00  0.00    +0.252 C 
ATOM     20  N   LIG    1       -3.448   1.029   0.243  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1       -2.846   0.311  -0.141  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1       -3.847   2.239   2.198  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.574   1.351  -0.545  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1       -4.723   0.665  -1.758  0.00  0.00    +0.035 A 
ATOM     25  C   LIG    1       -5.814   0.918  -2.609  0.00  0.00    +0.057 A 
ATOM     26  C   LIG    1       -6.752   1.889  -2.238  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.607   2.580  -1.037  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.524   2.312  -0.195  0.00  0.00    +0.023 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -5.947   0.181  -3.918  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1       -5.452  -1.087  -3.866  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -5.280   0.800  -4.930  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -7.237   0.058  -4.338  0.00  0.00    -0.166 F 
ENDBRANCH  25  29
ENDBRANCH  20  23
ENDBRANCH   3  19
BRANCH   4  33
ATOM     33  O   LIG    1       -2.696   1.386   4.359  0.00  0.00    -0.506 OA
ATOM     34  H   LIG    1       -3.396   1.841   3.837  0.00  0.00    +0.292 HD
ENDBRANCH   4  33
TORSDOF 6