REMARK  Name = BDB056751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.788   1.348   2.123  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.864   0.412   1.634  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.558   0.869   1.402  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.170   2.182   1.650  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -1.151   2.370   1.339  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -1.587   1.210   0.884  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        1.102   3.098   2.160  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -0.584   0.264   0.931  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -0.698  -1.121   0.539  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1        2.412   2.664   2.400  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        4.091   1.011   2.428  0.00  0.00    -0.453 OA
BRANCH  11  17
ATOM     12  C   LIG    1        7.008  -2.333  -1.116  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        6.205  -1.456  -0.201  0.00  0.00    -0.048 A 
ATOM     14  C   LIG    1        5.643  -0.263  -0.674  0.00  0.00    +0.045 A 
ATOM     15  C   LIG    1        4.929   0.565   0.189  0.00  0.00    +0.166 A 
ATOM     16  F   LIG    1        4.424   1.710  -0.291  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1        4.758   0.215   1.528  0.00  0.00    +0.163 A 
ATOM     18  C   LIG    1        5.347  -0.951   2.018  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        6.065  -1.785   1.156  0.00  0.00    +0.007 A 
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1       -2.983   0.943   0.417  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.900   0.334  -0.872  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.075   0.041  -1.506  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -5.359   0.228  -0.991  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -6.474  -0.127  -1.766  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -6.314  -0.637  -3.057  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -5.032  -0.826  -3.567  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.921  -0.492  -2.790  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.848   0.062  -1.253  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -8.755   0.522  -1.923  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.995  -0.371   0.017  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -7.240  -0.883   0.362  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7