REMARK  Name = BDB040082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.134  -2.251   0.189  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.717  -1.151   0.417  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        2.075  -1.263   0.825  0.00  0.00    -0.032 A 
ATOM      4  C   LIG    1        2.545  -2.579   0.988  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.728  -3.689   0.768  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.401  -3.524   0.374  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.473  -0.108  -1.125  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -3.459  -0.999  -0.814  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -2.053  -0.723  -0.406  0.00  0.00    +0.153 C 
ATOM     10  N   LIG    1       -1.483  -2.054  -0.215  0.00  0.00    -0.263 N 
ATOM     11  C   LIG    1       -2.431  -3.050  -0.476  0.00  0.00    +0.252 C 
ATOM     12  O   LIG    1       -2.352  -4.264  -0.433  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -3.676  -2.370  -0.854  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -4.893  -2.921  -1.204  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -5.923  -2.038  -1.525  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -5.714  -0.643  -1.488  0.00  0.00    +0.046 A 
BRANCH   7  17
ATOM     17  O   LIG    1       -4.138   1.210  -1.053  0.00  0.00    -0.489 OA
BRANCH  17  19
ATOM     18  C   LIG    1       -5.294   2.561  -2.697  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1       -5.157   2.202  -1.221  0.00  0.00    +0.167 C 
ATOM     20  C   LIG    1       -4.711   3.426  -0.424  0.00  0.00    +0.051 C 
ENDBRANCH  17  19
ENDBRANCH   7  17
ENDBRANCH   1  10
BRANCH   3  21
ATOM     21  C   LIG    1        2.996   0.097   1.073  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1        2.943   1.133  -0.084  0.00  0.00    +0.177 C 
ATOM     23  O   LIG    1        1.955   1.923   0.623  0.00  0.00    -0.378 OA
ATOM     24  C   LIG    1        2.269   1.230   1.862  0.00  0.00    +0.177 C 
BRANCH  21  25
ATOM     25  C   LIG    1        4.417  -0.250   1.540  0.00  0.00    +0.248 C 
ATOM     26  F   LIG    1        4.997  -1.002   0.554  0.00  0.00    -0.236 F 
BRANCH  25  27
ATOM     27  C   LIG    1        5.322   0.880   1.904  0.00  0.00    +0.168 A 
ATOM     28  N   LIG    1        6.393   1.326   1.168  0.00  0.00    -0.318 N 
ATOM     29  C   LIG    1        6.885   0.823  -0.087  0.00  0.00    +0.151 C 
ATOM     30  C   LIG    1        6.941   2.350   1.878  0.00  0.00    +0.224 A 
ATOM     31  N   LIG    1        6.271   2.519   2.992  0.00  0.00    -0.138 NA
ATOM     32  N   LIG    1        5.265   1.586   3.017  0.00  0.00    -0.132 NA
ENDBRANCH  25  27
ENDBRANCH  21  25
ENDBRANCH   3  21
TORSDOF 6