REMARK  Name = BDB040766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.123   1.405   2.563  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1       -0.701   0.061   2.079  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -1.962   0.740   1.939  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -1.334   2.028   1.843  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.096   0.293   1.231  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -4.063   1.197   0.779  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -5.189   0.746   0.091  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -6.095   1.648  -0.316  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -5.397  -0.608  -0.171  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.437  -1.503   0.298  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -4.597  -2.819   0.096  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.306  -1.069   0.991  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.614  -1.100  -0.922  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -6.761  -0.437  -2.290  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -5.805  -0.140  -3.005  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -8.044  -0.249  -2.746  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -8.126   0.172  -3.662  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -9.212  -0.707  -2.191  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1      -10.282  -0.602  -2.784  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -9.091  -1.415  -0.864  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -7.885  -0.914  -0.086  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1        2.321   1.051   2.266  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1        1.193   1.772   2.013  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1        1.328   2.575   1.414  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1        2.374   0.038   2.947  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        3.372   1.630   1.640  0.00  0.00    -0.444 OA
BRANCH  26  29
ATOM     27  N   LIG    1        5.565   0.299   0.103  0.00  0.00    -0.308 N 
ATOM     28  C   LIG    1        4.818  -0.410   1.099  0.00  0.00    +0.153 C 
ATOM     29  C   LIG    1        4.631   0.935   1.827  0.00  0.00    +0.212 C 
ATOM     30  C   LIG    1        5.805   1.422   0.962  0.00  0.00    +0.153 C 
BRANCH  27  34
ATOM     31  C   LIG    1        9.713   0.827  -2.271  0.00  0.00    +0.065 C 
ATOM     32  C   LIG    1        8.522  -0.024  -1.945  0.00  0.00    +0.040 A 
ATOM     33  N   LIG    1        7.604   0.496  -1.095  0.00  0.00    -0.237 NA
ATOM     34  C   LIG    1        6.521  -0.248  -0.773  0.00  0.00    +0.122 A 
ATOM     35  C   LIG    1        6.333  -1.522  -1.305  0.00  0.00    +0.044 A 
ATOM     36  C   LIG    1        7.283  -2.049  -2.176  0.00  0.00    +0.005 A 
ATOM     37  C   LIG    1        8.399  -1.291  -2.501  0.00  0.00    +0.023 A 
ENDBRANCH  27  34
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 6