REMARK  Name = BDB032705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.230   0.958   1.625  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        1.774   1.361   0.396  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.907   0.707  -0.050  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.671   0.922  -1.284  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        4.756   0.059  -1.240  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.695  -0.840  -0.094  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        3.381   1.717  -2.157  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.513  -0.328   0.659  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        2.984  -0.746   1.866  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        1.837  -0.099   2.345  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.597  -0.181  -2.407  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        5.145  -1.412  -3.210  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        4.086  -2.010  -3.033  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        6.031  -1.841  -4.173  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.733  -2.663  -4.683  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.388  -1.645  -4.151  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        8.143  -2.367  -4.796  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.891  -0.494  -3.312  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        7.069  -0.341  -2.041  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.021   1.616   2.150  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.139   0.957   1.552  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -3.317   0.736   1.313  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1       -2.952   0.040   0.677  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -2.342   1.434   1.966  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1       -2.473   2.330   2.785  0.00  0.00    -0.226 OA
BRANCH  22  30
ATOM     26  C   LIG    1       -9.025   1.195   1.504  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -7.529   1.068   1.480  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -6.897   0.106   0.685  0.00  0.00    +0.132 A 
ATOM     29  C   LIG    1       -5.500   0.027   0.631  0.00  0.00    +0.069 A 
ATOM     30  C   LIG    1       -4.711   0.879   1.412  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1       -5.339   1.817   2.231  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1       -6.735   1.915   2.260  0.00  0.00    +0.009 A 
BRANCH  28  33
ATOM     33  O   LIG    1       -7.675  -0.711  -0.092  0.00  0.00    -0.434 OA
BRANCH  33  34
ATOM     34  C   LIG    1       -7.537  -2.072   0.295  0.00  0.00    +0.541 C 
ATOM     35  F   LIG    1       -6.460  -2.602  -0.338  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1       -8.626  -2.737  -0.171  0.00  0.00    -0.166 F 
ENDBRANCH  33  34
ENDBRANCH  28  33
ENDBRANCH  22  30
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 7