REMARK  Name = BDB007535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.779   0.352  -0.389  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.842  -0.875  -0.414  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1        0.246  -1.672  -0.706  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.145  -2.678  -0.629  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.139  -1.556  -0.138  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1       -2.298  -2.939  -0.187  0.00  0.00    +0.136 A 
ATOM      7  F   LIG    1       -1.272  -3.751  -0.488  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -3.529  -3.522   0.087  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -4.622  -2.713   0.405  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -4.513  -1.314   0.432  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -3.252  -0.756   0.189  0.00  0.00    +0.038 A 
BRANCH  10  12
ATOM     12  N   LIG    1       -5.631  -0.580   0.827  0.00  0.00    -0.341 N 
ATOM     13  H   LIG    1       -6.501  -1.044   0.560  0.00  0.00    +0.146 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -5.723   0.876   0.648  0.00  0.00    +0.075 C 
ATOM     15  C   LIG    1       -6.835   1.411   1.554  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1       -8.220   0.951   1.104  0.00  0.00    +0.161 C 
ATOM     17  O   LIG    1       -8.270   0.582  -0.275  0.00  0.00    -0.380 OA
ATOM     18  C   LIG    1       -7.489   1.447  -1.092  0.00  0.00    +0.161 C 
ATOM     19  C   LIG    1       -6.004   1.239  -0.817  0.00  0.00    +0.050 C 
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1        1.594  -1.129  -0.788  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.388  -1.369   0.506  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        1.765  -0.708   1.616  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        1.959   0.242   1.485  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.869  -0.925   0.435  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.053   0.546   0.466  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.328   0.905   1.123  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        6.518   0.821   0.200  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        6.394   1.434  -1.058  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        7.474   1.453  -1.940  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        8.673   0.842  -1.574  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.797   0.224  -0.327  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.068   2.076  -1.361  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        7.723   0.217   0.565  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        3.920   1.162  -0.880  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 8