REMARK  Name = BDB048668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.480  -1.314  -0.637  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -0.415  -0.280   0.316  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -1.446   0.675   0.374  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.546   0.603  -0.489  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -2.604  -0.438  -1.419  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.579  -1.386  -1.495  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.586  -2.173  -0.647  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        0.548  -3.337  -1.472  0.00  0.00    +0.229 C 
BRANCH   8  10
ATOM      9  C   LIG    1        0.292  -4.870   0.530  0.00  0.00    +0.007 C 
ATOM     10  C   LIG    1       -0.253  -4.471  -0.834  0.00  0.00    +0.038 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   2  11
ATOM     11  C   LIG    1        0.752  -0.158   1.265  0.00  0.00    +0.143 C 
BRANCH  11  12
ATOM     12  N   LIG    1        1.916   0.367   0.588  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        2.079  -0.002  -0.339  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        2.995   0.825   1.310  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        2.996   0.935   2.530  0.00  0.00    -0.270 OA
BRANCH  14  16
ATOM     16  C   LIG    1        4.217   1.160   0.526  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        4.155   1.544  -0.819  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        5.328   1.854  -1.515  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        6.578   1.786  -0.878  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        6.629   1.422   0.476  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        5.457   1.113   1.173  0.00  0.00    +0.013 A 
BRANCH  19  22
ATOM     22  C   LIG    1        7.840   2.143  -1.626  0.00  0.00    +0.417 C 
ATOM     23  F   LIG    1        8.945   1.504  -1.149  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        7.777   1.835  -2.952  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        8.120   3.474  -1.564  0.00  0.00    -0.166 F 
ENDBRANCH  19  22
ENDBRANCH  14  16
ENDBRANCH  11  12
ENDBRANCH   2  11
BRANCH   4  26
ATOM     26  C   LIG    1       -3.659   1.621  -0.402  0.00  0.00    +0.049 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.633   1.349   0.757  0.00  0.00    +0.102 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.413   0.085   0.471  0.00  0.00    +0.308 C 
ATOM     29  O   LIG    1       -5.992  -0.198  -0.565  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -5.449  -0.752   1.526  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -5.971  -1.518   1.209  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
BRANCH  27  32
ATOM     32  C   LIG    1       -5.604   2.527   0.931  0.00  0.00    +0.011 C 
ATOM     33  C   LIG    1       -6.460   2.410   2.186  0.00  0.00    +0.004 C 
ENDBRANCH  27  32
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 12